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

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[(3S)-3-hydroxy-1-(m-tolylmethyl)-2-oxo-3-piperidyl]methyl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: benzofurazan-5-ylmethyl-[[(3S)-3-hydroxy-2-keto-1-(3-methylbenzyl)-3-piperidyl]methyl]ammonium Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH2+]CC3=CC4=NON=C4C=C3)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH2+]CC3=CC4=NON=C4C=C3)O

InChI

InChI=1S/C21H24N4O3/c1-15-4-2-5-17(10-15)13-25-9-3-8-21(27,20(25)26)14-22-12-16-6-7-18-19(11-16)24-28-23-18/h2,4-7,10-11,22,27H,3,8-9,12-14H2,1H3/p+1/t21-/m0/s1