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

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chloro-2-methyl-phenyl)carbamothioyl-(1-isopropylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-(1-propan-2-yl-4-piperidin-1-iumyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chloro-2-methylphenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chloro-2-methyl-phenyl)thiocarbamoyl-(1-isopropylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium Formula: C20H35ClN4S+2 MolecularWeight: 399.0367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N(CC[NH+](C)C)C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N(CC[NH+](C)C)C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C20H33ClN4S/c1-15(2)24-11-9-17(10-12-24)25(14-13-23(4)5)20(26)22-19-8-6-7-18(21)16(19)3/h6-8,15,17H,9-14H2,1-5H3,(H,22,26)/p+2