ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(1-methyl-2-benzimidazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3N2C)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3N2C)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H31N3O3/c1-4-31-24(29)25(17-19-8-7-9-20(16-19)30-3)12-14-28(15-13-25)18-23-26-21-10-5-6-11-22(21)27(23)2/h5-11,16H,4,12-15,17-18H2,1-3H3/p+1