3-phenylpropyl 1-cyclohexyl-1-(3,3-dimethylpentanoyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 3-phenylpropyl 1-cyclohexyl-1-(3,3-dimethylpentanoyl)piperidin-1-ium-2-carboxylate Openeye Name: 3-phenylpropyl 1-cyclohexyl-1-(3,3-dimethylpentanoyl)piperidin-1-ium-2-carboxylate CAS Name: 1-cyclohexyl-1-(3,3-dimethyl-1-oxopentyl)-2-piperidin-1-iumcarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 1-cyclohexyl-1-(3,3-dimethylpentanoyl)piperidin-1-ium-2-carboxylate Traditional Name: 1-cyclohexyl-1-(3,3-dimethylpentanoyl)piperidin-1-ium-2-carboxylic acid 3-phenylpropyl ester Formula: C28H44NO3+ MolecularWeight: 442.65386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC(=O)[N+]1(CCCCC1C(=O)OCCCC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CCC(C)(C)CC(=O)[N+]1(CCCCC1C(=O)OCCCC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C28H44NO3/c1-4-28(2,3)22-26(30)29(24-17-9-6-10-18-24)20-12-11-19-25(29)27(31)32-21-13-16-23-14-7-5-8-15-23/h5,7-8,14-15,24-25H,4,6,9-13,16-22H2,1-3H3/q+1