[(1S)-2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-ethyl-6-methylphenyl)carbamothioylamino]-1-pyridin-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium Formula: C19H27N4S+ MolecularWeight: 343.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NCC(C2=CN=CC=C2)[NH+](C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC[C@H](C2=CN=CC=C2)[NH+](C)C)C

InChI

InChI=1S/C19H26N4S/c1-5-15-9-6-8-14(2)18(15)22-19(24)21-13-17(23(3)4)16-10-7-11-20-12-16/h6-12,17H,5,13H2,1-4H3,(H2,21,22,24)/p+1/t17-/m1/s1