2-[(2,6-dimethylphenyl)carbamothioyl-(1-pyridin-1-ium-2-ylethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2,6-dimethylphenyl)carbamothioyl-(1-pyridin-1-ium-2-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,6-dimethylphenyl)carbamothioyl-(1-pyridin-1-ium-2-ylethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,6-dimethylanilino)-sulfanylidenemethyl]-[1-(2-pyridin-1-iumyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,6-dimethylphenyl)carbamothioyl-(1-pyridin-1-ium-2-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2,6-dimethylphenyl)thiocarbamoyl-(1-pyridin-1-ium-2-ylethyl)amino]ethyl-dimethyl-ammonium Formula: C20H30N4S+2 MolecularWeight: 358.544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=CC=[NH+]2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CC[NH+](C)C)C(C)C2=CC=CC=[NH+]2

InChI

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