1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-4-phenyl-1-(1-phenylheptan-4-yl)piperidin-1-ium-2-carboxylate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-4-phenyl-1-(1-phenylheptan-4-yl)piperidin-1-ium-2-carboxylate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-4-phenyl-1-(4-phenyl-1-propyl-butyl)piperidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-4-phenyl-1-(1-phenylheptan-4-yl)-2-piperidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-4-phenyl-1-(1-phenylheptan-4-yl)piperidin-1-ium-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-4-phenyl-1-(4-phenyl-1-propyl-butyl)piperidin-1-ium-2-carboxylate Formula: C32H43NO4 MolecularWeight: 505.68812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC1=CC=CC=C1)[N+]2(CCC(CC2C(=O)[O-])C3=CC=CC=C3)C(=O)C(=O)C(C)(C)CC

Isomeric SMILES

CCCC(CCCC1=CC=CC=C1)[N+]2(CCC(CC2C(=O)[O-])C3=CC=CC=C3)C(=O)C(=O)C(C)(C)CC

InChI

InChI=1S/C32H43NO4/c1-5-14-27(20-13-17-24-15-9-7-10-16-24)33(30(35)29(34)32(3,4)6-2)22-21-26(23-28(33)31(36)37)25-18-11-8-12-19-25/h7-12,15-16,18-19,26-28H,5-6,13-14,17,20-23H2,1-4H3