[2-(4-methylphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(4-methylphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(p-tolyl)-4-quinolyl]methanone CAS Name: [2-(4-methylphenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(p-tolyl)-4-quinolyl]methanone Formula: C28H28N3O+ MolecularWeight: 422.54142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O/c1-21-11-13-23(14-12-21)27-19-25(24-9-5-6-10-26(24)29-27)28(32)31-17-15-30(16-18-31)20-22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3/p+1