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

Systemtic Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofurazan-4-ylmethyl)-1-(1-isopropyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C21H34N5O2+ MolecularWeight: 388.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=CC4=NON=C43

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C21H33N5O2/c1-16(2)25-9-6-18(7-10-25)26-12-11-24(15-19(26)8-13-27)14-17-4-3-5-20-21(17)23-28-22-20/h3-5,16,18-19,27H,6-15H2,1-2H3/p+1/t19-/m0/s1