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

Systemtic Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzofurazan-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CC3=CC=CC4=NON=C43

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C20H30N4O2/c25-12-9-18-15-23(10-11-24(18)13-16-5-2-1-3-6-16)14-17-7-4-8-19-20(17)22-26-21-19/h4,7-8,16,18,25H,1-3,5-6,9-15H2/p+1/t18-/m0/s1