2-[(2-ethylphenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-ethylphenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-ethylphenyl)carbamothioyl-(1-isopropylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-ethylanilino)-sulfanylidenemethyl]-(1-propan-2-yl-4-piperidin-1-iumyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-ethylphenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-ethylphenyl)thiocarbamoyl-(1-isopropylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium Formula: C21H38N4S+2 MolecularWeight: 378.61822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC[NH+](C)C)C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC[NH+](C)C)C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C21H36N4S/c1-6-18-9-7-8-10-20(18)22-21(26)25(16-15-23(4)5)19-11-13-24(14-12-19)17(2)3/h7-10,17,19H,6,11-16H2,1-5H3,(H,22,26)/p+2