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

Systemtic Name: (3-methyl-2-phenyl-quinolin-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-2-phenyl-4-quinolyl)methanone CAS Name: (3-methyl-2-phenyl-4-quinolinyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-2-phenyl-4-quinolyl)methanone Formula: C28H28N3O+ MolecularWeight: 422.54142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O/c1-21-26(24-14-8-9-15-25(24)29-27(21)23-12-6-3-7-13-23)28(32)31-18-16-30(17-19-31)20-22-10-4-2-5-11-22/h2-15H,16-20H2,1H3/p+1