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

Systemtic Name: 2-[(2,6-diethylphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,6-diethylphenyl)carbamothioyl-[1-(3-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,6-diethylanilino)-sulfanylidenemethyl]-[1-(3-pyridinyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,6-diethylphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2,6-diethylphenyl)thiocarbamoyl-[1-(3-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C22H33N4S+ MolecularWeight: 385.58922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4S/c1-6-18-10-8-11-19(7-2)21(18)24-22(27)26(15-14-25(4)5)17(3)20-12-9-13-23-16-20/h8-13,16-17H,6-7,14-15H2,1-5H3,(H,24,27)/p+1