4-methoxy-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]-1H-indole-2-carboxamide

Systemtic Name: 4-methoxy-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]-1H-indole-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]-4-methoxy-1H-indole-2-carboxamide CAS Name: 4-methoxy-N-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]-1H-indole-2-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]-4-methoxy-1H-indole-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]-4-methoxy-1H-indole-2-carboxamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=C(N2)C(=O)NCCCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1C=C(N2)C(=O)NCCCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c1-32-23-10-5-9-21-20(23)17-22(27-21)25(31)26-12-6-11-24(30)29-15-13-28(14-16-29)18-19-7-3-2-4-8-19/h2-5,7-10,17,27H,6,11-16,18H2,1H3,(H,26,31)/p+1