[(1S)-2-[(2-imidazol-1-ylpyridin-3-yl)methylamino]-1-(3-methylphenyl)-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-imidazol-1-ylpyridin-3-yl)methylamino]-1-(3-methylphenyl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-imidazol-1-yl-3-pyridyl)methylamino]-1-(m-tolyl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(1-imidazolyl)-3-pyridinyl]methylamino]-1-(3-methylphenyl)-2-oxoethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-imidazol-1-ylpyridin-3-yl)methylamino]-1-(3-methylphenyl)-2-oxoethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-imidazol-1-yl-3-pyridyl)methylamino]-2-keto-1-(m-tolyl)ethyl]-dimethyl-ammonium Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(=O)NCC2=C(N=CC=C2)N3C=CN=C3)[NH+](C)C

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C(=O)NCC2=C(N=CC=C2)N3C=CN=C3)[NH+](C)C

InChI

InChI=1S/C20H23N5O/c1-15-6-4-7-16(12-15)18(24(2)3)20(26)23-13-17-8-5-9-22-19(17)25-11-10-21-14-25/h4-12,14,18H,13H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1