2,1,3-benzoxadiazol-5-ylmethyl-[(3S)-5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(3S)-5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(3S)-5-oxo-1-phenethyl-pyrrolidin-3-yl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(3S)-5-oxo-1-phenethyl-3-pyrrolidinyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(3S)-5-oxo-1-phenethylpyrrolidin-3-yl]azanium Traditional Name: benzofurazan-5-ylmethyl-[(3S)-5-keto-1-phenethyl-pyrrolidin-3-yl]ammonium Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCC2=CC=CC=C2)[NH2+]CC3=CC4=NON=C4C=C3

Isomeric SMILES

C1[C@@H](CN(C1=O)CCC2=CC=CC=C2)[NH2+]CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C19H20N4O2/c24-19-11-16(13-23(19)9-8-14-4-2-1-3-5-14)20-12-15-6-7-17-18(10-15)22-25-21-17/h1-7,10,16,20H,8-9,11-13H2/p+1/t16-/m0/s1