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

Systemtic Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(3-phenylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofurazan-4-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC=CC4=NON=C43

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C22H28N4O2/c27-15-11-20-17-25(16-19-9-4-10-21-22(19)24-28-23-21)13-14-26(20)12-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,20,27H,5,8,11-17H2/p+1/t20-/m0/s1