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

Systemtic Name: 6-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]-6-methoxy-1H-indole-2-carboxamide CAS Name: 6-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]-6-methoxy-1H-indole-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]-6-methoxy-1H-indole-2-carboxamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(N2)C(=O)NCCCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(N2)C(=O)NCCCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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