ethyl (3S)-1-piperazin-4-ium-1-ylcarbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-piperazin-4-ium-1-ylcarbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(piperazin-4-ium-1-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[oxo(1-piperazin-4-iumyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(piperazin-4-ium-1-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(piperazin-4-ium-1-carbonyl)nipecotic acid ethyl ester Formula: C13H24N3O3+ MolecularWeight: 270.34796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O3/c1-2-19-12(17)11-4-3-7-16(10-11)13(18)15-8-5-14-6-9-15/h11,14H,2-10H2,1H3/p+1/t11-/m0/s1