ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[[(2R)-2-oxanyl]methyl]-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CN2C3=NC=CC=N3)CC4CCCCO4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CN2C3=NC=CC=N3)C[C@H]4CCCCO4

InChI

InChI=1S/C23H32N4O3/c1-2-29-21(28)23(17-20-8-3-4-16-30-20)9-14-26(15-10-23)18-19-7-5-13-27(19)22-24-11-6-12-25-22/h5-7,11-13,20H,2-4,8-10,14-18H2,1H3/p+1/t20-/m1/s1