1-morpholin-4-yl-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-morpholin-4-yl-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-morpholino-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-morpholinyl)-3-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-morpholin-4-yl-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-morpholino-3-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]propan-1-one Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCOCC2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCOCC2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C21H29N5O2/c27-20(25-13-15-28-16-14-25)5-4-18-6-11-24(12-7-18)17-19-3-1-10-26(19)21-22-8-2-9-23-21/h1-3,8-10,18H,4-7,11-17H2/p+1