(1S,9R,16R,18S,21S)-18-hydroxy-4-methoxy-2,18-bis(methoxycarbonyl)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6-trien-12-ium-12-olate
AlkaPlorer ID: AK319435
Synonym: None
IUPAC Name: dimethyl (1S,9R,12S,16R,18S,21S)-18-hydroxy-4-methoxy-12-oxido-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate
Structure
SMILES: COC(=O)N1C2=C(OC)C=CC=C2[C@@]23CC[N@@+]4([O-])CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@@H]34
InChI: InChI=1S/C24H30N2O7/c1-31-16-7-4-6-15-17(16)25(20(28)33-3)24-10-9-21(14-23(24,29)19(27)32-2)8-5-12-26(30)13-11-22(15,24)18(21)26/h4,6-7,18,29H,5,8-14H2,1-3H3/t18-,21+,22+,23+,24-,26-/m0/s1
InChIKey: QNZKANKGYXTCNT-VUIYVZMTSA-N
Source
Properties Information
Molecule Weight: 458.5110000000004
TPSA？: 108.36
MolLogP？: 2.2269
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 7
Activities Information
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