ethyl 1-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[(2R,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(2R,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(2R,6S)-2,6-dimethylpiperidino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H31N2O3+ MolecularWeight: 311.43964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)N2C(CCCC2C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)N2[C@@H](CCC[C@@H]2C)C

InChI

InChI=1S/C17H30N2O3/c1-4-22-17(21)15-8-10-18(11-9-15)12-16(20)19-13(2)6-5-7-14(19)3/h13-15H,4-12H2,1-3H3/p+1/t13-,14+