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

Systemtic Name: 1-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(4-pyrrolidinoanilino)ethyl]piperidin-1-ium-4-carboxylate Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C18H25N3O3/c22-17(13-20-11-7-14(8-12-20)18(23)24)19-15-3-5-16(6-4-15)21-9-1-2-10-21/h3-6,14H,1-2,7-13H2,(H,19,22)(H,23,24)