2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-tetrahydrothiopyran-4-yl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-propan-2-yl-4-piperidinyl)-4-(4-thianyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-tetrahydrothiopyran-4-yl-piperazin-1-ium-2-yl]ethanol Formula: C19H38N3OS+ MolecularWeight: 356.58952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)C3CCSCC3

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)C3CCSCC3

InChI

InChI=1S/C19H37N3OS/c1-16(2)20-8-3-18(4-9-20)22-11-10-21(15-19(22)5-12-23)17-6-13-24-14-7-17/h16-19,23H,3-15H2,1-2H3/p+1/t19-/m0/s1