1-(3-chlorophenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(3-chlorophenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(3-chlorophenyl)-4-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]piperazine CAS Name: 1-(3-chlorophenyl)-4-[(3S)-1-(4-thianyl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(3-chlorophenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(3-chlorophenyl)-4-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]piperazine Formula: C20H31ClN3S+ MolecularWeight: 380.99824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCSCC2)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCSCC2)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H30ClN3S/c21-17-3-1-4-19(15-17)22-9-11-23(12-10-22)20-5-2-8-24(16-20)18-6-13-25-14-7-18/h1,3-4,15,18,20H,2,5-14,16H2/p+1/t20-/m0/s1