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

Systemtic Name: 2-[(2-methoxyphenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-methoxyphenyl)carbamothioyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-methoxyanilino)-sulfanylidenemethyl]-(1-pyridin-4-ylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-methoxyphenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-methoxyphenyl)thiocarbamoyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)N(CC[NH+](C)C)C(=S)NC2=CC=CC=C2OC

Isomeric SMILES

CC(C1=CC=NC=C1)N(CC[NH+](C)C)C(=S)NC2=CC=CC=C2OC

InChI

InChI=1S/C19H26N4OS/c1-15(16-9-11-20-12-10-16)23(14-13-22(2)3)19(25)21-17-7-5-6-8-18(17)24-4/h5-12,15H,13-14H2,1-4H3,(H,21,25)/p+1