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

Systemtic Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-phenethyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-phenethylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofurazan-4-ylmethyl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCC2=CC=CC=C2)CCO)CC3=CC=CC4=NON=C43

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCC2=CC=CC=C2)CCO)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C21H26N4O2/c26-14-10-19-16-24(15-18-7-4-8-20-21(18)23-27-22-20)12-13-25(19)11-9-17-5-2-1-3-6-17/h1-8,19,26H,9-16H2/p+1/t19-/m0/s1