6-butyl-2-[3-[[4-(dimethylamino)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-butyl-2-[3-[[4-(dimethylamino)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-butyl-2-[3-[[4-(dimethylamino)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-butyl-2-[3-[[4-(dimethylamino)-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-butyl-2-[3-[[4-(dimethylamino)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-butyl-2-[3-[[4-(dimethylamino)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCC(CC3)N(C)C

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCC(CC3)N(C)C

InChI

InChI=1S/C22H32N4O/c1-4-5-9-19-15-21(27)24-22(23-19)18-8-6-7-17(14-18)16-26-12-10-20(11-13-26)25(2)3/h6-8,14-15,20H,4-5,9-13,16H2,1-3H3,(H,23,24,27)/p+1