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

Systemtic Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-neopentyl-piperazin-1-ium-2-yl]ethanol Formula: C19H30N3OS+ MolecularWeight: 348.526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3OS/c1-19(2,3)14-22-10-9-21(12-15(22)8-11-23)13-18-20-16-6-4-5-7-17(16)24-18/h4-7,15,23H,8-14H2,1-3H3/p+1/t15-/m0/s1