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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-oxido-benzofurazan-1-ium-5-carboxamide Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

InChI

InChI=1S/C19H26N4O3/c24-19(14-9-10-18-17(12-14)21-26-23(18)25)20-15-6-5-11-22(13-15)16-7-3-1-2-4-8-16/h9-10,12,15-16H,1-8,11,13H2,(H,20,24)/p+1/t15-/m0/s1