3-phenylpropyl 1,1-bis(2-cyclohexyl-2-oxidanylidene-ethanoyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 3-phenylpropyl 1,1-bis(2-cyclohexyl-2-oxidanylidene-ethanoyl)piperidin-1-ium-2-carboxylate Openeye Name: 3-phenylpropyl 1,1-bis(2-cyclohexyl-2-oxo-acetyl)piperidin-1-ium-2-carboxylate CAS Name: 1,1-bis(2-cyclohexyl-1,2-dioxoethyl)-2-piperidin-1-iumcarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 1,1-bis(2-cyclohexyl-2-oxoacetyl)piperidin-1-ium-2-carboxylate Traditional Name: 1,1-bis(2-cyclohexyl-2-keto-acetyl)piperidin-1-ium-2-carboxylic acid 3-phenylpropyl ester Formula: C31H42NO6+ MolecularWeight: 524.66828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(=O)[N+]2(CCCCC2C(=O)OCCCC3=CC=CC=C3)C(=O)C(=O)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C(=O)C(=O)[N+]2(CCCCC2C(=O)OCCCC3=CC=CC=C3)C(=O)C(=O)C4CCCCC4

InChI

InChI=1S/C31H42NO6/c33-27(24-16-6-2-7-17-24)29(35)32(30(36)28(34)25-18-8-3-9-19-25)21-11-10-20-26(32)31(37)38-22-12-15-23-13-4-1-5-14-23/h1,4-5,13-14,24-26H,2-3,6-12,15-22H2/q+1