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

Systemtic Name: 2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(4-phenylthiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-phenyl-2-thiazolyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(4-phenylthiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C24H37N4OS+ MolecularWeight: 429.64178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C24H36N4OS/c1-19(2)27-11-8-21(9-12-27)28-14-13-26(16-22(28)10-15-29)17-24-25-23(18-30-24)20-6-4-3-5-7-20/h3-7,18-19,21-22,29H,8-17H2,1-2H3/p+1/t22-/m0/s1