methyl-[[7-methyl-1-[(3-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl]-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: methyl-[[7-methyl-1-[(3-methylphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl]-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [(2R)-2-hydroxy-2-phenyl-ethyl]-methyl-[[7-methyl-1-(m-tolylmethyl)-2-oxo-3-quinolyl]methyl]ammonium CAS Name: [(2R)-2-hydroxy-2-phenylethyl]-methyl-[[7-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3-quinolinyl]methyl]ammonium IUPAC Name: [(2R)-2-hydroxy-2-phenylethyl]-methyl-[[7-methyl-1-[(3-methylphenyl)methyl]-2-oxoquinolin-3-yl]methyl]azanium Traditional Name: [(2R)-2-hydroxy-2-phenyl-ethyl]-[[2-keto-7-methyl-1-(3-methylbenzyl)-3-quinolyl]methyl]-methyl-ammonium Formula: C28H31N2O2+ MolecularWeight: 427.55794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C)C=C(C2=O)C[NH+](C)CC(C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C)C=C(C2=O)C[NH+](C)C[C@@H](C4=CC=CC=C4)O

InChI

InChI=1S/C28H30N2O2/c1-20-8-7-9-22(14-20)17-30-26-15-21(2)12-13-24(26)16-25(28(30)32)18-29(3)19-27(31)23-10-5-4-6-11-23/h4-16,27,31H,17-19H2,1-3H3/p+1/t27-/m0/s1