N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: N-[1-[(4-isobutylphenyl)methyl]-3-piperidyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-[1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidinyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: N-[1-(4-isobutylbenzyl)-3-piperidyl]-1-oxido-benzofurazan-1-ium-5-carboxamide Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CN2CCCC(C2)NC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CN2CCCC(C2)NC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

InChI

InChI=1S/C23H28N4O3/c1-16(2)12-17-5-7-18(8-6-17)14-26-11-3-4-20(15-26)24-23(28)19-9-10-22-21(13-19)25-30-27(22)29/h5-10,13,16,20H,3-4,11-12,14-15H2,1-2H3,(H,24,28)