2-[(2S)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[(2-phenylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-phenyl-5-thiazolyl)methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-[(2-phenylthiazol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CN=C(S2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CN=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C19H27N3OS/c1-15(2)22-10-9-21(13-17(22)8-11-23)14-18-12-20-19(24-18)16-6-4-3-5-7-16/h3-7,12,15,17,23H,8-11,13-14H2,1-2H3/p+1/t17-/m0/s1