2-[4-[(2,4-dichlorophenyl)-ethanoyl-amino]-1-methoxycarbonyl-piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[4-[(2,4-dichlorophenyl)-ethanoyl-amino]-1-methoxycarbonyl-piperidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[4-(N-acetyl-2,4-dichloro-anilino)-1-methoxycarbonyl-piperidin-1-ium-1-yl]propanoic acid CAS Name: 2-[4-(N-acetyl-2,4-dichloroanilino)-1-methoxycarbonyl-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 2-[4-(N-acetyl-2,4-dichloroanilino)-1-methoxycarbonylpiperidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[4-(N-acetyl-2,4-dichloro-anilino)-1-carbomethoxy-piperidin-1-ium-1-yl]propionic acid Formula: C18H23Cl2N2O5+ MolecularWeight: 418.29162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1(CCC(CC1)N(C2=C(C=C(C=C2)Cl)Cl)C(=O)C)C(=O)OC

Isomeric SMILES

CC(C(=O)O)[N+]1(CCC(CC1)N(C2=C(C=C(C=C2)Cl)Cl)C(=O)C)C(=O)OC

InChI

InChI=1S/C18H22Cl2N2O5/c1-11(17(24)25)22(18(26)27-3)8-6-14(7-9-22)21(12(2)23)16-5-4-13(19)10-15(16)20/h4-5,10-11,14H,6-9H2,1-3H3/p+1