ethyl (3S)-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-carbonyl]nipecotic acid ethyl ester Formula: C20H31N2O4+ MolecularWeight: 363.47114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC=C(O3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC=C(O3)C

InChI

InChI=1S/C20H30N2O4/c1-3-25-20(24)17-5-4-10-22(13-17)19(23)16-8-11-21(12-9-16)14-18-7-6-15(2)26-18/h6-7,16-17H,3-5,8-14H2,1-2H3/p+1/t17-/m0/s1