[2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(3,4-dimethylphenyl)-4-quinolyl]methanone CAS Name: [2-(3,4-dimethylphenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(3,4-dimethylphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(3,4-dimethylphenyl)-4-quinolyl]methanone Formula: C29H30N3O+ MolecularWeight: 436.568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O/c1-21-12-13-24(18-22(21)2)28-19-26(25-10-6-7-11-27(25)30-28)29(33)32-16-14-31(15-17-32)20-23-8-4-3-5-9-23/h3-13,18-19H,14-17,20H2,1-2H3/p+1