N-(2-chlorophenyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2-chlorophenyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2-chlorophenyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2-chlorophenyl)-3-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2-chlorophenyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2-chlorophenyl)-3-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C23H27ClN5O+ MolecularWeight: 424.94638

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2=CC=CC=C2Cl)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NC2=CC=CC=C2Cl)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C23H26ClN5O/c24-20-6-1-2-7-21(20)27-22(30)9-8-18-10-15-28(16-11-18)17-19-5-3-14-29(19)23-25-12-4-13-26-23/h1-7,12-14,18H,8-11,15-17H2,(H,27,30)/p+1