2-[(2-ethyl-6-methyl-phenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-ethyl-6-methyl-phenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-ethyl-6-methyl-phenyl)carbamothioyl-[1-(3-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-[1-(3-pyridinyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-ethyl-6-methylphenyl)carbamothioyl-(1-pyridin-3-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl-[1-(3-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C21H31N4S+ MolecularWeight: 371.56264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N(CC[NH+](C)C)C(C)C2=CN=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N(CC[NH+](C)C)C(C)C2=CN=CC=C2)C

InChI

InChI=1S/C21H30N4S/c1-6-18-10-7-9-16(2)20(18)23-21(26)25(14-13-24(4)5)17(3)19-11-8-12-22-15-19/h7-12,15,17H,6,13-14H2,1-5H3,(H,23,26)/p+1