[(1R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC(C2=CC=CS2)[NH+](C)C)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC[C@H](C2=CC=CS2)[NH+](C)C)C1=O)CO

InChI

InChI=1S/C16H21N3O2S/c1-11-16(21)13(12(10-20)7-18-11)8-17-9-14(19(2)3)15-5-4-6-22-15/h4-8,14,17,20H,9-10H2,1-3H3/p+1/t14-/m1/s1