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

Systemtic Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(3-phenylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzothiazol-2-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H29N3OS/c27-16-12-20-17-25(18-23-24-21-10-4-5-11-22(21)28-23)14-15-26(20)13-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-11,20,27H,6,9,12-18H2/p+1/t20-/m0/s1