N-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)methyl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide

Systemtic Name: N-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)methyl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide Openeye Name: N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)methyl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide CAS Name: N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)methyl]-2-(1-piperidin-1-iumyl)-1,3-dihydroindene-2-carboxamide IUPAC Name: N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)methyl]-2-piperidin-1-ium-1-yl-1,3-dihydroindene-2-carboxamide Traditional Name: N-[(4-keto-6-methyl-1H-pyrimidin-2-yl)methyl]-2-piperidin-1-ium-1-yl-indane-2-carboxamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)CNC(=O)C2(CC3=CC=CC=C3C2)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=O)N=C(N1)CNC(=O)C2(CC3=CC=CC=C3C2)[NH+]4CCCCC4

InChI

InChI=1S/C21H26N4O2/c1-15-11-19(26)24-18(23-15)14-22-20(27)21(25-9-5-2-6-10-25)12-16-7-3-4-8-17(16)13-21/h3-4,7-8,11H,2,5-6,9-10,12-14H2,1H3,(H,22,27)(H,23,24,26)/p+1