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

Systemtic Name: cyclohexylmethyl 2-[1-(2-phenylphenyl)carbonylpiperidin-1-ium-1-yl]ethanoate Openeye Name: cyclohexylmethyl 2-[1-(2-phenylbenzoyl)piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[oxo-(2-phenylphenyl)methyl]-1-piperidin-1-iumyl]acetic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-[1-(2-phenylbenzoyl)piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-(2-phenylbenzoyl)piperidin-1-ium-1-yl]acetic acid cyclohexylmethyl ester Formula: C27H34NO3+ MolecularWeight: 420.56376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C[N+]2(CCCCC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)COC(=O)C[N+]2(CCCCC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C27H34NO3/c29-26(31-21-22-12-4-1-5-13-22)20-28(18-10-3-11-19-28)27(30)25-17-9-8-16-24(25)23-14-6-2-7-15-23/h2,6-9,14-17,22H,1,3-5,10-13,18-21H2/q+1