1-[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-ylcarbonylamino)butanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-ylcarbonylamino)butanoyl]piperidine-4-carboxylate Openeye Name: 1-[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-carbonylamino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[(3R)-3-(4-chlorophenyl)-1-oxo-4-[[oxo(4-piperidin-1-iumyl)methyl]amino]butyl]-4-piperidinecarboxylate IUPAC Name: 1-[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-carbonylamino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[(3R)-3-(4-chlorophenyl)-4-(piperidin-1-ium-4-carbonylamino)butanoyl]isonipecotate Formula: C22H30ClN3O4 MolecularWeight: 435.9443

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C(=O)NCC(CC(=O)N2CCC(CC2)C(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH2+]CCC1C(=O)NC[C@H](CC(=O)N2CCC(CC2)C(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H30ClN3O4/c23-19-3-1-15(2-4-19)18(14-25-21(28)16-5-9-24-10-6-16)13-20(27)26-11-7-17(8-12-26)22(29)30/h1-4,16-18,24H,5-14H2,(H,25,28)(H,29,30)/t18-/m0/s1