ethyl 4-[(3S)-3-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-[1,2-dihydroacenaphthylen-5-yl(oxo)methyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(acenaphthene-5-carbonyl)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C26H32N2O3/c1-2-31-26(30)27-15-12-21(13-16-27)28-14-4-6-20(17-28)25(29)23-11-10-19-9-8-18-5-3-7-22(23)24(18)19/h3,5,7,10-11,20-21H,2,4,6,8-9,12-17H2,1H3/p+1/t20-/m0/s1