4,5-dimethoxy-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-1H-indole-2-carboxamide

Systemtic Name: 4,5-dimethoxy-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-1H-indole-2-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-4,5-dimethoxy-1H-indole-2-carboxamide CAS Name: 4,5-dimethoxy-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-1H-indole-2-carboxamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-4,5-dimethoxy-1H-indole-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-4,5-dimethoxy-1H-indole-2-carboxamide Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4/c1-32-22-9-8-20-19(24(22)33-2)16-21(27-20)25(31)26-11-10-23(30)29-14-12-28(13-15-29)17-18-6-4-3-5-7-18/h3-9,16,27H,10-15,17H2,1-2H3,(H,26,31)/p+1