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

Systemtic Name: 3-(3,4,5-trimethoxyphenyl)propyl 1-(3,3-dimethylbutanoyl)-1-phenyl-piperidin-1-ium-2-carboxylate Openeye Name: 3-(3,4,5-trimethoxyphenyl)propyl 1-(3,3-dimethylbutanoyl)-1-phenyl-piperidin-1-ium-2-carboxylate CAS Name: 1-(3,3-dimethyl-1-oxobutyl)-1-phenyl-2-piperidin-1-iumcarboxylic acid 3-(3,4,5-trimethoxyphenyl)propyl ester IUPAC Name: 3-(3,4,5-trimethoxyphenyl)propyl 1-(3,3-dimethylbutanoyl)-1-phenylpiperidin-1-ium-2-carboxylate Traditional Name: 1-(3,3-dimethylbutanoyl)-1-phenyl-piperidin-1-ium-2-carboxylic acid 3-(3,4,5-trimethoxyphenyl)propyl ester Formula: C30H42NO6+ MolecularWeight: 512.65758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)[N+]1(CCCCC1C(=O)OCCCC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC(=O)[N+]1(CCCCC1C(=O)OCCCC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C30H42NO6/c1-30(2,3)21-27(32)31(23-14-8-7-9-15-23)17-11-10-16-24(31)29(33)37-18-12-13-22-19-25(34-4)28(36-6)26(20-22)35-5/h7-9,14-15,19-20,24H,10-13,16-18,21H2,1-6H3/q+1