3-[1-[[3-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-[1-[[3-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[1-[[3-(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]propanamide CAS Name: 3-[1-[[3-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: 3-[1-[[3-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: 3-[1-[3-(6-isopropyl-4-keto-1H-pyrimidin-2-yl)benzyl]piperidin-1-ium-4-yl]propionamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCC(CC3)CCC(=O)N

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCC(CC3)CCC(=O)N

InChI

InChI=1S/C22H30N4O2/c1-15(2)19-13-21(28)25-22(24-19)18-5-3-4-17(12-18)14-26-10-8-16(9-11-26)6-7-20(23)27/h3-5,12-13,15-16H,6-11,14H2,1-2H3,(H2,23,27)(H,24,25,28)/p+1