ethyl (3S)-1-[(2S)-2-piperazin-4-ium-1-ylpropanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-2-piperazin-4-ium-1-ylpropanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2S)-2-piperazin-4-ium-1-ylpropanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-1-oxo-2-(1-piperazin-4-iumyl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-2-piperazin-4-ium-1-ylpropanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2S)-2-piperazin-4-ium-1-ylpropanoyl]nipecotic acid ethyl ester Formula: C15H28N3O3+ MolecularWeight: 298.40112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C15H27N3O3/c1-3-21-15(20)13-5-4-8-18(11-13)14(19)12(2)17-9-6-16-7-10-17/h12-13,16H,3-11H2,1-2H3/p+1/t12-,13-/m0/s1