1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-[2-(4-methoxyphenyl)ethyl]-4-(1-phenylbutyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-[2-(4-methoxyphenyl)ethyl]-4-(1-phenylbutyl)piperidin-1-ium-2-carboxylate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-1-[2-(4-methoxyphenyl)ethyl]-4-(1-phenylbutyl)piperidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-[2-(4-methoxyphenyl)ethyl]-4-(1-phenylbutyl)-2-piperidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-[2-(4-methoxyphenyl)ethyl]-4-(1-phenylbutyl)piperidin-1-ium-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-1-[2-(4-methoxyphenyl)ethyl]-4-(1-phenylbutyl)piperidin-1-ium-2-carboxylate Formula: C32H43NO5 MolecularWeight: 521.68752

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC[N+](C(C1)C(=O)[O-])(CCC2=CC=C(C=C2)OC)C(=O)C(=O)C(C)(C)CC)C3=CC=CC=C3

Isomeric SMILES

CCCC(C1CC[N+](C(C1)C(=O)[O-])(CCC2=CC=C(C=C2)OC)C(=O)C(=O)C(C)(C)CC)C3=CC=CC=C3

InChI

InChI=1S/C32H43NO5/c1-6-11-27(24-12-9-8-10-13-24)25-19-21-33(28(22-25)31(36)37,30(35)29(34)32(3,4)7-2)20-18-23-14-16-26(38-5)17-15-23/h8-10,12-17,25,27-28H,6-7,11,18-22H2,1-5H3