ethyl 4-[(3S)-3-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C18H32N3O3+ MolecularWeight: 338.46498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)N3CCCC3

InChI

InChI=1S/C18H31N3O3/c1-2-24-18(23)20-12-7-16(8-13-20)21-11-5-6-15(14-21)17(22)19-9-3-4-10-19/h15-16H,2-14H2,1H3/p+1/t15-/m0/s1