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

Systemtic Name: 1-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-oxo-2-[4-(1-piperidyl)anilino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[4-(1-piperidinyl)anilino]ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(4-piperidinoanilino)ethyl]piperidin-1-ium-4-carboxylate Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C19H27N3O3/c23-18(14-21-12-8-15(9-13-21)19(24)25)20-16-4-6-17(7-5-16)22-10-2-1-3-11-22/h4-7,15H,1-3,8-14H2,(H,20,23)(H,24,25)