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

Systemtic Name: 1-piperidin-1-yl-2-[4-(3-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-piperidyl)-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo-[3-(1-pyrrolyl)phenyl]methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 1-piperidin-1-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-piperidino-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H28N4O2/c27-21(25-11-2-1-3-12-25)18-23-13-15-26(16-14-23)22(28)19-7-6-8-20(17-19)24-9-4-5-10-24/h4-10,17H,1-3,11-16,18H2/p+1