2-[(5-chloranyl-2-methyl-phenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-chloranyl-2-methyl-phenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-chloro-2-methyl-phenyl)carbamothioyl-[1-(3-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]-[1-(3-pyridinyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-chloro-2-methylphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-chloro-2-methyl-phenyl)thiocarbamoyl-[1-(3-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)Cl)NC(=S)N(CC[NH+](C)C)C(C)C2=CN=CC=C2

Isomeric SMILES

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

InChI

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