2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-[(4-phenylthiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-methyl-4-piperidinyl)-4-[(4-phenyl-2-thiazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-[(4-phenylthiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H32N4OS/c1-24-10-7-19(8-11-24)26-13-12-25(15-20(26)9-14-27)16-22-23-21(17-28-22)18-5-3-2-4-6-18/h2-6,17,19-20,27H,7-16H2,1H3/p+1/t20-/m0/s1