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

Systemtic Name: 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]-1H-indole-2-carboxamide CAS Name: 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]-1H-indole-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]-1H-indole-2-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCNC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCNC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C24H28N4O2/c29-23(28-15-13-27(14-16-28)18-19-7-2-1-3-8-19)11-6-12-25-24(30)22-17-20-9-4-5-10-21(20)26-22/h1-5,7-10,17,26H,6,11-16,18H2,(H,25,30)/p+1