2-(2-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]azanium

Systemtic Name: 2-(2-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]azanium Openeye Name: [(1R)-1-methyl-2-(m-tolyl)ethyl]-[2-(2-methyl-4-oxo-1H-pyrimidin-6-yl)ethyl]ammonium CAS Name: 2-(2-methyl-4-oxo-1H-pyrimidin-6-yl)ethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]ammonium IUPAC Name: 2-(2-methyl-4-oxo-1H-pyrimidin-6-yl)ethyl-[(2R)-1-(3-methylphenyl)propan-2-yl]azanium Traditional Name: 2-(4-keto-2-methyl-1H-pyrimidin-6-yl)ethyl-[(1R)-1-methyl-2-(m-tolyl)ethyl]ammonium Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C)[NH2+]CCC2=CC(=O)N=C(N2)C

Isomeric SMILES

CC1=CC(=CC=C1)C[C@@H](C)[NH2+]CCC2=CC(=O)N=C(N2)C

InChI

InChI=1S/C17H23N3O/c1-12-5-4-6-15(9-12)10-13(2)18-8-7-16-11-17(21)20-14(3)19-16/h4-6,9,11,13,18H,7-8,10H2,1-3H3,(H,19,20,21)/p+1/t13-/m1/s1