2-[4-(4-methyl-3-pyrrol-1-yl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-methyl-3-pyrrol-1-yl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(4-methyl-3-pyrrol-1-yl-benzoyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4-methyl-3-(1-pyrrolyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(4-methyl-3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(4-methyl-3-pyrrol-1-yl-benzoyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)N4C=CC=C4

InChI

InChI=1S/C23H30N4O2/c1-19-7-8-20(17-21(19)25-9-5-6-10-25)23(29)27-15-13-24(14-16-27)18-22(28)26-11-3-2-4-12-26/h5-10,17H,2-4,11-16,18H2,1H3/p+1