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

Systemtic Name: N-(pyridin-3-ylmethyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(3-pyridylmethyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(3-pyridinylmethyl)-3-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(pyridin-3-ylmethyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-pyridylmethyl)-3-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C23H28N6O/c30-22(27-17-20-4-1-10-24-16-20)7-6-19-8-14-28(15-9-19)18-21-5-2-13-29(21)23-25-11-3-12-26-23/h1-5,10-13,16,19H,6-9,14-15,17-18H2,(H,27,30)/p+1