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

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chloro-4-methyl-phenyl)carbamothioyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-(1-pyridin-4-ylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chloro-4-methylphenyl)carbamothioyl-(1-pyridin-4-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chloro-4-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=C(C=C1)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=NC=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=NC=C2)Cl

InChI

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