4-(3-methyl-2-oxidanylidene-4,5-dihydropyrimidin-1-ium-1-yl)-N-(7-methyl-3-oxidanyl-1-phenyl-octyl)butanamide

Systemtic Name: 4-(3-methyl-2-oxidanylidene-4,5-dihydropyrimidin-1-ium-1-yl)-N-(7-methyl-3-oxidanyl-1-phenyl-octyl)butanamide Openeye Name: N-(3-hydroxy-7-methyl-1-phenyl-octyl)-4-(3-methyl-2-oxo-4,5-dihydropyrimidin-1-ium-1-yl)butanamide CAS Name: N-(3-hydroxy-7-methyl-1-phenyloctyl)-4-(3-methyl-2-oxo-4,5-dihydropyrimidin-1-ium-1-yl)butanamide IUPAC Name: N-(3-hydroxy-7-methyl-1-phenyloctyl)-4-(3-methyl-2-oxo-4,5-dihydropyrimidin-1-ium-1-yl)butanamide Traditional Name: N-(3-hydroxy-7-methyl-1-phenyl-octyl)-4-(2-keto-3-methyl-4,5-dihydropyrimidin-1-ium-1-yl)butyramide Formula: C24H38N3O3+ MolecularWeight: 416.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(CC(C1=CC=CC=C1)NC(=O)CCC[N+]2=CCCN(C2=O)C)O

Isomeric SMILES

CC(C)CCCC(CC(C1=CC=CC=C1)NC(=O)CCC[N+]2=CCCN(C2=O)C)O

InChI

InChI=1S/C24H37N3O3/c1-19(2)10-7-13-21(28)18-22(20-11-5-4-6-12-20)25-23(29)14-8-16-27-17-9-15-26(3)24(27)30/h4-6,11-12,17,19,21-22,28H,7-10,13-16,18H2,1-3H3/p+1