[2-[(2,3-dimethylphenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [2-[(2,3-dimethylphenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium Openeye Name: [2-[(2,3-dimethylphenyl)carbamothioylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium CAS Name: [2-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]-dimethylammonium IUPAC Name: [2-[(2,3-dimethylphenyl)carbamothioylamino]-1-pyridin-3-ylethyl]-dimethylazanium Traditional Name: [2-[(2,3-dimethylphenyl)thiocarbamoylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium Formula: C18H25N4S+ MolecularWeight: 329.4829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NCC(C2=CN=CC=C2)[NH+](C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NCC(C2=CN=CC=C2)[NH+](C)C)C

InChI

InChI=1S/C18H24N4S/c1-13-7-5-9-16(14(13)2)21-18(23)20-12-17(22(3)4)15-8-6-10-19-11-15/h5-11,17H,12H2,1-4H3,(H2,20,21,23)/p+1