1-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-butylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-butylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-butylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-butylanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C18H26N2O3/c1-2-3-4-14-5-7-16(8-6-14)19-17(21)13-20-11-9-15(10-12-20)18(22)23/h5-8,15H,2-4,9-13H2,1H3,(H,19,21)(H,22,23)