1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-phenethyl-3-(1-phenylpropyl)piperidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-phenethyl-3-(1-phenylpropyl)piperidin-1-ium-2-carboxylic acid Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-1-phenethyl-3-(1-phenylpropyl)piperidin-1-ium-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-phenethyl-3-(1-phenylpropyl)-2-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-phenethyl-3-(1-phenylpropyl)piperidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-1-phenethyl-3-(1-phenylpropyl)piperidin-1-ium-2-carboxylic acid Formula: C30H40NO4+ MolecularWeight: 478.6429

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCC[N+](C1C(=O)O)(CCC2=CC=CC=C2)C(=O)C(=O)C(C)(C)CC)C3=CC=CC=C3

Isomeric SMILES

CCC(C1CCC[N+](C1C(=O)O)(CCC2=CC=CC=C2)C(=O)C(=O)C(C)(C)CC)C3=CC=CC=C3

InChI

InChI=1S/C30H39NO4/c1-5-24(23-16-11-8-12-17-23)25-18-13-20-31(26(25)29(34)35,21-19-22-14-9-7-10-15-22)28(33)27(32)30(3,4)6-2/h7-12,14-17,24-26H,5-6,13,18-21H2,1-4H3/p+1