N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]-3-piperidyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidinyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)-3-piperidyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CN2CCCC(C2)NC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CN2CCC[C@@H](C2)NC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C22H29N3O2/c1-17(2)13-18-7-9-19(10-8-18)14-24-11-4-6-21(16-24)23-22(26)20-5-3-12-25(27)15-20/h3,5,7-10,12,15,17,21H,4,6,11,13-14,16H2,1-2H3,(H,23,26)/t21-/m0/s1