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

Systemtic Name: 4,5-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]-4,5-dimethoxy-1H-indole-2-carboxamide CAS Name: 4,5-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]-4,5-dimethoxy-1H-indole-2-carboxamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4,5-dimethoxy-1H-indole-2-carboxamide Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)NC(=C2)C(=O)NCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)NC(=C2)C(=O)NCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

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