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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4OC)OC

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4OC)OC

InChI

InChI=1S/C25H30N4O4/c1-17(25(31)29-13-11-28(12-14-29)16-18-7-5-4-6-8-18)26-24(30)21-15-19-20(27-21)9-10-22(32-2)23(19)33-3/h4-10,15,17,27H,11-14,16H2,1-3H3,(H,26,30)/p+1/t17-/m0/s1