6-[1-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one CAS Name: 6-[1-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methyl]-4-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN=CC=C2)C)C[NH+]3CCC(CC3)C4=CC(=O)N=CN4

Isomeric SMILES

CC1=CC(=C(N1C2=CN=CC=C2)C)C[NH+]3CCC(CC3)C4=CC(=O)N=CN4

InChI

InChI=1S/C21H25N5O/c1-15-10-18(16(2)26(15)19-4-3-7-22-12-19)13-25-8-5-17(6-9-25)20-11-21(27)24-14-23-20/h3-4,7,10-12,14,17H,5-6,8-9,13H2,1-2H3,(H,23,24,27)/p+1