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

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-(thiazol-2-ylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-(2-thiazolylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-(thiazol-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=NC=CS3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=NC=CS3

InChI

InChI=1S/C19H27N3OS/c23-13-8-18-15-21(16-19-20-9-14-24-19)11-12-22(18)10-4-7-17-5-2-1-3-6-17/h1-3,5-6,9,14,18,23H,4,7-8,10-13,15-16H2/p+1/t18-/m0/s1