2-[(2,5-dimethylphenyl)carbamothioyl-[(1R)-1-pyridin-3-ylethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2,5-dimethylphenyl)carbamothioyl-[(1R)-1-pyridin-3-ylethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,5-dimethylphenyl)carbamothioyl-[(1R)-1-(3-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]-[(1R)-1-(3-pyridinyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,5-dimethylphenyl)carbamothioyl-[(1R)-1-pyridin-3-ylethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2,5-dimethylphenyl)thiocarbamoyl-[(1R)-1-(3-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium Formula: C20H29N4S+ MolecularWeight: 357.53606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4S/c1-15-8-9-16(2)19(13-15)22-20(25)24(12-11-23(4)5)17(3)18-7-6-10-21-14-18/h6-10,13-14,17H,11-12H2,1-5H3,(H,22,25)/p+1/t17-/m1/s1