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

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chloro-2-methyl-phenyl)carbamothioyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-(1-pyridin-4-ylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chloro-2-methylphenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chloro-2-methyl-phenyl)thiocarbamoyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C19H26ClN4S+ MolecularWeight: 377.95454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=NC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=NC=C2

InChI

InChI=1S/C19H25ClN4S/c1-14-17(20)6-5-7-18(14)22-19(25)24(13-12-23(3)4)15(2)16-8-10-21-11-9-16/h5-11,15H,12-13H2,1-4H3,(H,22,25)/p+1