2-[(3-ethylphenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-ethylphenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-ethylphenyl)carbamothioyl-(1-isopropylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-ethylanilino)-sulfanylidenemethyl]-(1-propan-2-yl-4-piperidin-1-iumyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-ethylphenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-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=C1)NC(=S)N(CC[NH+](C)C)C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N(CC[NH+](C)C)C2CC[NH+](CC2)C(C)C

InChI

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