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

Systemtic Name: [(2S)-1-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]ethyl]-dimethyl-ammonium Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC(CC2=CC=CC=C2)[NH+](C)C)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC[C@H](CC2=CC=CC=C2)[NH+](C)C)C1=O)CO

InChI

InChI=1S/C19H25N3O2/c1-14-19(24)18(16(13-23)10-21-14)12-20-11-17(22(2)3)9-15-7-5-4-6-8-15/h4-8,10,12,17,20,23H,9,11,13H2,1-3H3/p+1/t17-/m0/s1