5,6-dimethoxy-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1H-indole-2-carboxamide

Systemtic Name: 5,6-dimethoxy-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1H-indole-2-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-5,6-dimethoxy-1H-indole-2-carboxamide CAS Name: 5,6-dimethoxy-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1H-indole-2-carboxamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-5,6-dimethoxy-1H-indole-2-carboxamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-5,6-dimethoxy-1H-indole-2-carboxamide Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(N2)C(=O)NCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(N2)C(=O)NCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C24H28N4O4/c1-31-21-13-18-12-20(26-19(18)14-22(21)32-2)24(30)25-15-23(29)28-10-8-27(9-11-28)16-17-6-4-3-5-7-17/h3-7,12-14,26H,8-11,15-16H2,1-2H3,(H,25,30)/p+1