N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C20H24N3O2+ MolecularWeight: 338.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C20H23N3O2/c24-20(15-7-10-23(25)11-8-15)21-18-6-3-9-22(14-18)19-12-16-4-1-2-5-17(16)13-19/h1-2,4-5,7-8,10-11,18-19H,3,6,9,12-14H2,(H,21,24)/p+1/t18-/m0/s1