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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)carbamothioyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-(1-pyridin-4-ylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C19H26ClN4OS+ MolecularWeight: 393.95394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN4OS/c1-14(15-7-9-21-10-8-15)24(12-11-23(2)3)19(26)22-16-5-6-18(25-4)17(20)13-16/h5-10,13-14H,11-12H2,1-4H3,(H,22,26)/p+1