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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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