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

Systemtic Name: [(1S)-2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-chloro-2-methylphenyl)carbamothioylamino]-1-pyridin-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium Formula: C17H22ClN4S+ MolecularWeight: 349.90138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCC(C2=CN=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC[C@H](C2=CN=CC=C2)[NH+](C)C

InChI

InChI=1S/C17H21ClN4S/c1-12-14(18)7-4-8-15(12)21-17(23)20-11-16(22(2)3)13-6-5-9-19-10-13/h4-10,16H,11H2,1-3H3,(H2,20,21,23)/p+1/t16-/m1/s1