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

Systemtic Name: 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]-1H-indole-2-carboxamide CAS Name: 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]-1H-indole-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-1H-indole-2-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c28-22(27-14-12-26(13-15-27)17-18-6-2-1-3-7-18)10-11-24-23(29)21-16-19-8-4-5-9-20(19)25-21/h1-9,16,25H,10-15,17H2,(H,24,29)/p+1