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

Systemtic Name: [2-(4-chlorophenyl)-3-methyl-quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-chlorophenyl)-3-methyl-4-quinolyl]methanone CAS Name: [2-(4-chlorophenyl)-3-methyl-4-quinolinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-chlorophenyl)-3-methyl-4-quinolyl]methanone Formula: C28H27ClN3O+ MolecularWeight: 456.98648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26ClN3O/c1-20-26(28(33)32-17-15-31(16-18-32)19-21-7-3-2-4-8-21)24-9-5-6-10-25(24)30-27(20)22-11-13-23(29)14-12-22/h2-14H,15-19H2,1H3/p+1