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

Systemtic Name: 2-[4-(4-phenylphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-(4-phenylphenyl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c27-22(25-12-4-5-13-25)18-24-14-16-26(17-15-24)23(28)21-10-8-20(9-11-21)19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-18H2/p+1