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

Systemtic Name: [2-(2-chlorophenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-chlorophenyl)-4-quinolyl]methanone CAS Name: [2-(2-chlorophenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-chlorophenyl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-chlorophenyl)-4-quinolyl]methanone Formula: C27H25ClN3O+ MolecularWeight: 442.9599

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H24ClN3O/c28-24-12-6-4-11-22(24)26-18-23(21-10-5-7-13-25(21)29-26)27(32)31-16-14-30(15-17-31)19-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2/p+1