1-(2-methylphenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-methylphenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(o-tolyl)-4-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-methylphenyl)-4-[(3S)-1-(4-thianyl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methylphenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(o-tolyl)-4-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]piperazine Formula: C21H34N3S+ MolecularWeight: 360.57976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)C4CCSCC4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)C4CCSCC4

InChI

InChI=1S/C21H33N3S/c1-18-5-2-3-7-21(18)23-13-11-22(12-14-23)20-6-4-10-24(17-20)19-8-15-25-16-9-19/h2-3,5,7,19-20H,4,6,8-17H2,1H3/p+1/t20-/m0/s1