1-[2-[4-(cyclopropylcarbonylamino)phenyl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[4-(cyclopropylcarbonylamino)phenyl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-[4-(cyclopropanecarbonylamino)phenyl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-[4-(cyclopropanecarbonylamino)phenyl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[4-(cyclopropanecarbonylamino)phenyl]-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C18H22N2O4/c21-16(11-20-9-7-14(8-10-20)18(23)24)12-3-5-15(6-4-12)19-17(22)13-1-2-13/h3-6,13-14H,1-2,7-11H2,(H,19,22)(H,23,24)