2-[(2,6-dimethylphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2,6-dimethylphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,6-dimethylphenyl)carbamothioyl-[1-(3-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,6-dimethylanilino)-sulfanylidenemethyl]-[1-(3-pyridinyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,6-dimethylphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2,6-dimethylphenyl)thiocarbamoyl-[1-(3-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C20H29N4S+ MolecularWeight: 357.53606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4S/c1-15-8-6-9-16(2)19(15)22-20(25)24(13-12-23(4)5)17(3)18-10-7-11-21-14-18/h6-11,14,17H,12-13H2,1-5H3,(H,22,25)/p+1