(2-phenylquinolin-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-phenylquinolin-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-phenyl-4-quinolyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-phenyl-4-quinolinyl)-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-phenylquinolin-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-phenyl-4-quinolyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C26H32N4O+2 MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H30N4O/c31-26(30-18-16-29(17-19-30)15-14-28-12-6-7-13-28)23-20-25(21-8-2-1-3-9-21)27-24-11-5-4-10-22(23)24/h1-5,8-11,20H,6-7,12-19H2/p+2