1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-phenyl-4-(7-phenylheptyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1-phenyl-4-(7-phenylheptyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-1-phenyl-4-(7-phenylheptyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-1-phenyl-4-(7-phenylheptyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-1-phenyl-4-(7-phenylheptyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-1-phenyl-4-(7-phenylheptyl)pyrrolidin-1-ium-2-carboxylate Formula: C31H41NO4 MolecularWeight: 491.66154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)[N+]1(CC(CC1C(=O)[O-])CCCCCCCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)[N+]1(CC(CC1C(=O)[O-])CCCCCCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C31H41NO4/c1-4-31(2,3)28(33)29(34)32(26-20-14-9-15-21-26)23-25(22-27(32)30(35)36)19-11-7-5-6-10-16-24-17-12-8-13-18-24/h8-9,12-15,17-18,20-21,25,27H,4-7,10-11,16,19,22-23H2,1-3H3