2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H25N3OS/c1-13(2)20-9-8-19(11-14(20)7-10-21)12-17-18-15-5-3-4-6-16(15)22-17/h3-6,13-14,21H,7-12H2,1-2H3/p+1/t14-/m0/s1