(2R)-N-(3-chloranyl-2-methyl-phenyl)-2-(2-piperidin-1-ium-1-ylethyl)piperidine-1-carbothioamide

Systemtic Name: (2R)-N-(3-chloranyl-2-methyl-phenyl)-2-(2-piperidin-1-ium-1-ylethyl)piperidine-1-carbothioamide Openeye Name: (2R)-N-(3-chloro-2-methyl-phenyl)-2-(2-piperidin-1-ium-1-ylethyl)piperidine-1-carbothioamide CAS Name: (2R)-N-(3-chloro-2-methylphenyl)-2-[2-(1-piperidin-1-iumyl)ethyl]-1-piperidinecarbothioamide IUPAC Name: (2R)-N-(3-chloro-2-methylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)piperidine-1-carbothioamide Traditional Name: (2R)-N-(3-chloro-2-methyl-phenyl)-2-(2-piperidin-1-ium-1-ylethyl)piperidine-1-carbothioamide Formula: C20H31ClN3S+ MolecularWeight: 380.99824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCCCC2CC[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCCC[C@@H]2CC[NH+]3CCCCC3

InChI

InChI=1S/C20H30ClN3S/c1-16-18(21)9-7-10-19(16)22-20(25)24-14-6-3-8-17(24)11-15-23-12-4-2-5-13-23/h7,9-10,17H,2-6,8,11-15H2,1H3,(H,22,25)/p+1/t17-/m1/s1