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

Systemtic Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C22H29N3O2/c1-17(2)14-18-5-7-19(8-6-18)15-24-11-3-4-21(16-24)23-22(26)20-9-12-25(27)13-10-20/h5-10,12-13,17,21H,3-4,11,14-16H2,1-2H3,(H,23,26)/p+1/t21-/m0/s1