2-[3-[[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxidanylidene-quinolin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxidanylidene-quinolin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[3-[[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxo-1-quinolyl]ethyl-dimethyl-ammonium CAS Name: 2-[3-[[4-(2,4-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-2-oxo-1-quinolinyl]ethyl-dimethylammonium IUPAC Name: 2-[3-[[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxoquinolin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[3-[[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-2-keto-7-methyl-1-quinolyl]ethyl-dimethyl-ammonium Formula: C27H38N4O+2 MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C(C=C4)C)N(C3=O)CC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C(C=C4)C)N(C3=O)CC[NH+](C)C)C

InChI

InChI=1S/C27H36N4O/c1-20-7-9-25(22(3)16-20)30-13-11-29(12-14-30)19-24-18-23-8-6-21(2)17-26(23)31(27(24)32)15-10-28(4)5/h6-9,16-18H,10-15,19H2,1-5H3/p+2