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

Systemtic Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3OS/c1-17-7-8-18(10-12(17)6-9-19)11-15-16-13-4-2-3-5-14(13)20-15/h2-5,12,19H,6-11H2,1H3/p+1/t12-/m0/s1