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

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CN2C3=CC=CC=N3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CN2C3=CC=CC=N3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H31N3O3/c1-3-32-25(30)26(19-21-8-6-10-23(18-21)31-2)12-16-28(17-13-26)20-22-9-7-15-29(22)24-11-4-5-14-27-24/h4-11,14-15,18H,3,12-13,16-17,19-20H2,1-2H3/p+1