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

Systemtic Name: 2-[(3-methoxyphenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-methoxyphenyl)carbamothioyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-methoxyanilino)-sulfanylidenemethyl]-(1-pyridin-4-ylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-methoxyphenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-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=C2)OC

Isomeric SMILES

CC(C1=CC=NC=C1)N(CC[NH+](C)C)C(=S)NC2=CC(=CC=C2)OC

InChI

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