2-methyl-6-[1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-6-[1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-piperidin-1-iumyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-1-ium-4-yl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 6-[1-[4-(4-hydroxybut-1-ynyl)benzyl]piperidin-1-ium-4-yl]-2-methyl-1H-pyrimidin-4-one Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2CC[NH+](CC2)CC3=CC=C(C=C3)C#CCCO

Isomeric SMILES

CC1=NC(=O)C=C(N1)C2CC[NH+](CC2)CC3=CC=C(C=C3)C#CCCO

InChI

InChI=1S/C21H25N3O2/c1-16-22-20(14-21(26)23-16)19-9-11-24(12-10-19)15-18-7-5-17(6-8-18)4-2-3-13-25/h5-8,14,19,25H,3,9-13,15H2,1H3,(H,22,23,26)/p+1