1-[3-(4-aminophenyl)-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[3-(4-aminophenyl)-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[3-(4-aminophenyl)-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(4-aminophenyl)-3-oxopropyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[3-(4-aminophenyl)-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(4-aminophenyl)-3-keto-propyl]piperidin-1-ium-4-carboxylate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CCC(=O)C2=CC=C(C=C2)N

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CCC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C15H20N2O3/c16-13-3-1-11(2-4-13)14(18)7-10-17-8-5-12(6-9-17)15(19)20/h1-4,12H,5-10,16H2,(H,19,20)