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

Systemtic Name: N-methyl-1-oxidanidyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: N-methyl-1-oxido-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-methyl-1-oxido-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: N-methyl-1-oxido-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: N-methyl-1-oxido-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]benzofurazan-1-ium-5-carboxamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

InChI

InChI=1S/C22H26N4O3/c1-24(22(27)18-11-12-21-20(15-18)23-29-26(21)28)19-10-6-14-25(16-19)13-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,15,19H,5-6,9-10,13-14,16H2,1H3/p+1/t19-/m0/s1