1-(3,3-dimethylbutanoyl)-1-phenyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]piperidin-1-ium-2-carboxylate

Systemtic Name: 1-(3,3-dimethylbutanoyl)-1-phenyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]piperidin-1-ium-2-carboxylate Openeye Name: 1-(3,3-dimethylbutanoyl)-1-phenyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]piperidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1-oxobutyl)-1-phenyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]-2-piperidin-1-iumcarboxylate IUPAC Name: 1-(3,3-dimethylbutanoyl)-1-phenyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]piperidin-1-ium-2-carboxylate Traditional Name: 1-(3,3-dimethylbutanoyl)-1-phenyl-3-[1-(3,4,5-trimethoxyphenyl)propyl]piperidin-1-ium-2-carboxylate Formula: C30H41NO6 MolecularWeight: 511.64964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41NO6/c1-8-22(20-17-24(35-5)28(37-7)25(18-20)36-6)23-15-12-16-31(27(23)29(33)34,21-13-10-9-11-14-21)26(32)19-30(2,3)4/h9-11,13-14,17-18,22-23,27H,8,12,15-16,19H2,1-7H3