ethyl 1-[(2S)-2-(4-aminocarbonylpiperidin-1-ium-1-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-(4-aminocarbonylpiperidin-1-ium-1-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)propanoyl]isonipecotic acid ethyl ester Formula: C17H30N3O4+ MolecularWeight: 340.4378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H29N3O4/c1-3-24-17(23)14-6-10-20(11-7-14)16(22)12(2)19-8-4-13(5-9-19)15(18)21/h12-14H,3-11H2,1-2H3,(H2,18,21)/p+1/t12-/m0/s1