N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-5-methoxy-1H-indole-2-carboxamide

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-5-methoxy-1H-indole-2-carboxamide Openeye Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-5-methoxy-1H-indole-2-carboxamide CAS Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-5-methoxy-1H-indole-2-carboxamide IUPAC Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-5-methoxy-1H-indole-2-carboxamide Traditional Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-5-methoxy-1H-indole-2-carboxamide Formula: C28H28ClN6O2+ MolecularWeight: 516.01392

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)C5=CC6=C(N5)C=CC(=C6)OC

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)C5=CC6=C(N5)C=CC(=C6)OC

InChI

InChI=1S/C28H27ClN6O2/c1-35(33-28(36)26-16-18-15-20(37-2)8-10-22(18)30-26)13-11-34(12-14-35)27-21-5-3-4-6-23(21)31-24-9-7-19(29)17-25(24)32-27/h3-10,15-17H,11-14H2,1-2H3,(H2-,30,31,32,33,36)/p+1