2,1,3-benzoxadiazol-5-ylmethyl-[[(3S)-1-(cyclohexylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[(3S)-1-(cyclohexylmethyl)-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-oxo-3-piperidyl]methyl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: benzofurazan-5-ylmethyl-[[(3S)-1-(cyclohexylmethyl)-3-hydroxy-2-keto-3-piperidyl]methyl]ammonium Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCCC(C2=O)(C[NH2+]CC3=CC4=NON=C4C=C3)O

Isomeric SMILES

C1CCC(CC1)CN2CCC[C@@](C2=O)(C[NH2+]CC3=CC4=NON=C4C=C3)O

InChI

InChI=1S/C20H28N4O3/c25-19-20(26,9-4-10-24(19)13-15-5-2-1-3-6-15)14-21-12-16-7-8-17-18(11-16)23-27-22-17/h7-8,11,15,21,26H,1-6,9-10,12-14H2/p+1/t20-/m0/s1