[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(thian-4-yl)azanium

Systemtic Name: [1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(thian-4-yl)azanium Openeye Name: [1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-tetrahydrothiopyran-4-yl-ammonium CAS Name: [1-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-iumyl]methyl-methyl-(4-thianyl)ammonium IUPAC Name: [1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(thian-4-yl)azanium Traditional Name: [1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-tetrahydrothiopyran-4-yl-ammonium Formula: C20H33ClN2S+2 MolecularWeight: 369.00742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)Cl)C3CCSCC3

Isomeric SMILES

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)Cl)C3CCSCC3

InChI

InChI=1S/C20H31ClN2S/c1-22(20-9-14-24-15-10-20)16-18-7-12-23(13-8-18)11-6-17-2-4-19(21)5-3-17/h2-5,18,20H,6-16H2,1H3/p+2