[(1S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC(C2=CC=CC=C2)[NH+](C)C)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC[C@H](C2=CC=CC=C2)[NH+](C)C)C1=O)CO

InChI

InChI=1S/C18H23N3O2/c1-13-18(23)16(15(12-22)9-20-13)10-19-11-17(21(2)3)14-7-5-4-6-8-14/h4-10,17,19,22H,11-12H2,1-3H3/p+1/t17-/m1/s1