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

Systemtic Name: dimethyl-[2-[(3-methylphenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl]azanium Openeye Name: 2-[(1-isopropylpiperidin-1-ium-4-yl)-(m-tolylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[(3-methylanilino)-sulfanylidenemethyl]-(1-propan-2-yl-4-piperidin-1-iumyl)amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-methylphenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl]azanium Traditional Name: 2-[(1-isopropylpiperidin-1-ium-4-yl)-(m-tolylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C20H36N4S+2 MolecularWeight: 364.59164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CC[NH+](C)C)C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CC[NH+](C)C)C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C20H34N4S/c1-16(2)23-11-9-19(10-12-23)24(14-13-22(4)5)20(25)21-18-8-6-7-17(3)15-18/h6-8,15-16,19H,9-14H2,1-5H3,(H,21,25)/p+2