3-[4-methoxycarbonyl-1-[(4-propanoylphenyl)amino]piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-[4-methoxycarbonyl-1-[(4-propanoylphenyl)amino]piperidin-1-ium-1-yl]propanoic acid Openeye Name: 3-[4-methoxycarbonyl-1-(4-propanoylanilino)piperidin-1-ium-1-yl]propanoic acid CAS Name: 3-[4-methoxycarbonyl-1-[4-(1-oxopropyl)anilino]-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 3-[4-methoxycarbonyl-1-(4-propanoylanilino)piperidin-1-ium-1-yl]propanoic acid Traditional Name: 3-[4-carbomethoxy-1-(4-propionylanilino)piperidin-1-ium-1-yl]propionic acid Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)N[N+]2(CCC(CC2)C(=O)OC)CCC(=O)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)N[N+]2(CCC(CC2)C(=O)OC)CCC(=O)O

InChI

InChI=1S/C19H26N2O5/c1-3-17(22)14-4-6-16(7-5-14)20-21(13-10-18(23)24)11-8-15(9-12-21)19(25)26-2/h4-7,15H,3,8-13H2,1-2H3,(H-,20,22,23,24)/p+1