methyl 4-[[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[(4-p-anisoylpiperidin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C22H26NO4+ MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25NO4/c1-26-20-9-7-17(8-10-20)21(24)18-11-13-23(14-12-18)15-16-3-5-19(6-4-16)22(25)27-2/h3-10,18H,11-15H2,1-2H3/p+1