ethyl 2-cyclohexyloxycarbonyloxy-2-[1-(2-phenylphenyl)carbonylpiperidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-cyclohexyloxycarbonyloxy-2-[1-(2-phenylphenyl)carbonylpiperidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-(cyclohexoxycarbonyloxy)-2-[1-(2-phenylbenzoyl)piperidin-1-ium-1-yl]acetate CAS Name: 2-[cyclohexyloxy(oxo)methoxy]-2-[1-[oxo-(2-phenylphenyl)methyl]-1-piperidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyclohexyloxycarbonyloxy-2-[1-(2-phenylbenzoyl)piperidin-1-ium-1-yl]acetate Traditional Name: 2-(cyclohexoxycarbonyloxy)-2-[1-(2-phenylbenzoyl)piperidin-1-ium-1-yl]acetic acid ethyl ester Formula: C29H36NO6+ MolecularWeight: 494.59924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C([N+]1(CCCCC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3)OC(=O)OC4CCCCC4

Isomeric SMILES

CCOC(=O)C([N+]1(CCCCC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3)OC(=O)OC4CCCCC4

InChI

InChI=1S/C29H36NO6/c1-2-34-28(32)27(36-29(33)35-23-16-8-4-9-17-23)30(20-12-5-13-21-30)26(31)25-19-11-10-18-24(25)22-14-6-3-7-15-22/h3,6-7,10-11,14-15,18-19,23,27H,2,4-5,8-9,12-13,16-17,20-21H2,1H3/q+1