2-[(3,5-dimethylphenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3,5-dimethylphenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,5-dimethylphenyl)carbamothioyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,5-dimethylanilino)-sulfanylidenemethyl]-(1-pyridin-4-ylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,5-dimethylphenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3,5-dimethylphenyl)thiocarbamoyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C20H29N4S+ MolecularWeight: 357.53606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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