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

Systemtic Name: ethyl 4-[(3S)-3-naphthalen-1-ylcarbonylpiperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-[1-naphthalenyl(oxo)methyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(1-naphthoyl)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H30N2O3/c1-2-29-24(28)25-15-12-20(13-16-25)26-14-6-9-19(17-26)23(27)22-11-5-8-18-7-3-4-10-21(18)22/h3-5,7-8,10-11,19-20H,2,6,9,12-17H2,1H3/p+1/t19-/m0/s1