6-methoxy-6-oxidanylidene-4-[1-[(2-propanoylphenyl)amino]piperidin-1-ium-1-yl]hexanoic acid

Systemtic Name: 6-methoxy-6-oxidanylidene-4-[1-[(2-propanoylphenyl)amino]piperidin-1-ium-1-yl]hexanoic acid Openeye Name: 6-methoxy-6-oxo-4-[1-(2-propanoylanilino)piperidin-1-ium-1-yl]hexanoic acid CAS Name: 6-methoxy-6-oxo-4-[1-[2-(1-oxopropyl)anilino]-1-piperidin-1-iumyl]hexanoic acid IUPAC Name: 6-methoxy-6-oxo-4-[1-(2-propanoylanilino)piperidin-1-ium-1-yl]hexanoic acid Traditional Name: 6-keto-6-methoxy-4-[1-(2-propionylanilino)piperidin-1-ium-1-yl]hexanoic acid Formula: C21H31N2O5+ MolecularWeight: 391.48124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1N[N+]2(CCCCC2)C(CCC(=O)O)CC(=O)OC

Isomeric SMILES

CCC(=O)C1=CC=CC=C1N[N+]2(CCCCC2)C(CCC(=O)O)CC(=O)OC

InChI

InChI=1S/C21H30N2O5/c1-3-19(24)17-9-5-6-10-18(17)22-23(13-7-4-8-14-23)16(11-12-20(25)26)15-21(27)28-2/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H-,22,24,25,26)/p+1