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

Systemtic Name: 1-pyrrolidin-1-yl-2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-pyrrolidino-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone Formula: C21H27N4O2+ MolecularWeight: 367.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C21H26N4O2/c26-20(24-11-3-4-12-24)17-22-13-15-25(16-14-22)21(27)18-5-7-19(8-6-18)23-9-1-2-10-23/h1-2,5-10H,3-4,11-17H2/p+1