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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

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