1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C23H30N4O2/c28-22(26-13-3-1-2-4-14-26)19-24-15-17-27(18-16-24)23(29)20-7-9-21(10-8-20)25-11-5-6-12-25/h5-12H,1-4,13-19H2/p+1