1-oxidanidyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: 1-oxidanidyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: 1-oxido-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: 1-oxido-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: 1-oxido-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: 1-oxido-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzofurazan-1-ium-5-carboxamide Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

InChI

InChI=1S/C20H22N4O3/c25-20(16-8-9-19-18(13-16)22-27-24(19)26)21-17-7-4-11-23(14-17)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17H,4,7,10-12,14H2,(H,21,25)/p+1/t17-/m0/s1