ethyl 4-[(3S)-3-(4-tert-butylphenyl)carbonylpiperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-(4-tert-butylphenyl)carbonylpiperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(4-tert-butylbenzoyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-[(4-tert-butylphenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(4-tert-butylbenzoyl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(4-tert-butylbenzoyl)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C24H37N2O3+ MolecularWeight: 401.56218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O3/c1-5-29-23(28)25-15-12-21(13-16-25)26-14-6-7-19(17-26)22(27)18-8-10-20(11-9-18)24(2,3)4/h8-11,19,21H,5-7,12-17H2,1-4H3/p+1/t19-/m0/s1