2-[(2-chlorophenyl)carbamothioyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-chlorophenyl)carbamothioyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-chlorophenyl)carbamothioyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-chloroanilino)-sulfanylidenemethyl]-[1-(3-pyridin-1-iumyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-chlorophenyl)carbamothioyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-chlorophenyl)thiocarbamoyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethyl-ammonium Formula: C18H25ClN4S+2 MolecularWeight: 364.9359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C[NH+]=CC=C1)N(CC[NH+](C)C)C(=S)NC2=CC=CC=C2Cl

Isomeric SMILES

CC(C1=C[NH+]=CC=C1)N(CC[NH+](C)C)C(=S)NC2=CC=CC=C2Cl

InChI

InChI=1S/C18H23ClN4S/c1-14(15-7-6-10-20-13-15)23(12-11-22(2)3)18(24)21-17-9-5-4-8-16(17)19/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)/p+2