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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=NC=C2

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=NC=C2

InChI

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