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

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(3S)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(3S)-5-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium Traditional Name: benzofurazan-5-ylmethyl-[(3S)-5-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]ammonium Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCCC2=CC=CC=C2)[NH2+]CC3=CC4=NON=C4C=C3

Isomeric SMILES

C1[C@@H](CN(C1=O)CCCC2=CC=CC=C2)[NH2+]CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C20H22N4O2/c25-20-12-17(14-24(20)10-4-7-15-5-2-1-3-6-15)21-13-16-8-9-18-19(11-16)23-26-22-18/h1-3,5-6,8-9,11,17,21H,4,7,10,12-14H2/p+1/t17-/m0/s1