(3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: (3-aminocarbonyl-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]-ethyl-ammonium CAS Name: (3-carbamoyl-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-carbamoyl-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl]-ethylazanium Traditional Name: benzyl-[(3-carbamoyl-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]-ethyl-ammonium Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=CC(=C(C2=S)C(=O)N)C)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=CC(=C(C2=S)C(=O)N)C)C

InChI

InChI=1S/C18H23N3OS/c1-4-20(11-15-8-6-5-7-9-15)12-21-14(3)10-13(2)16(17(19)22)18(21)23/h5-10H,4,11-12H2,1-3H3,(H2,19,22)/p+1