(3-methoxyphenyl)-[(3S)-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3S)-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-3-yl]methanone Openeye Name: (3-methoxyphenyl)-[(3S)-1-(1-oxidopyridin-1-ium-4-carbonyl)-3-piperidyl]methanone CAS Name: (3-methoxyphenyl)-[(3S)-1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3-piperidinyl]methanone IUPAC Name: (3-methoxyphenyl)-[(3S)-1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-3-yl]methanone Traditional Name: (3-methoxyphenyl)-[(3S)-1-(1-oxidopyridin-1-ium-4-carbonyl)-3-piperidyl]methanone Formula: C19H20N2O4 MolecularWeight: 340.3731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCCN(C2)C(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C19H20N2O4/c1-25-17-6-2-4-15(12-17)18(22)16-5-3-9-20(13-16)19(23)14-7-10-21(24)11-8-14/h2,4,6-8,10-12,16H,3,5,9,13H2,1H3/t16-/m0/s1