[2-(4-methoxyphenyl)-3-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(4-methoxyphenyl)-3-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-methoxyphenyl)-3-methyl-4-quinolyl]methanone CAS Name: [2-(4-methoxyphenyl)-3-methyl-4-quinolinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-methoxyphenyl)-3-methyl-4-quinolyl]methanone Formula: C29H30N3O2+ MolecularWeight: 452.5674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2/c1-21-27(29(33)32-18-16-31(17-19-32)20-22-8-4-3-5-9-22)25-10-6-7-11-26(25)30-28(21)23-12-14-24(34-2)15-13-23/h3-15H,16-20H2,1-2H3/p+1