1-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2/c1-14(22)16-11-17(19-12-16)18(23)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12,19H,7-10,13H2,1H3/p+1