3-methyl-1-[3-methyl-2-oxidanyl-4-[4-(1-oxidanylpyridin-1-ium-3-yl)oxybutoxy]phenyl]butan-1-one

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-[4-(1-oxidanylpyridin-1-ium-3-yl)oxybutoxy]phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-4-[4-(1-hydroxypyridin-1-ium-3-yl)oxybutoxy]-3-methyl-phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-4-[4-[(1-hydroxy-3-pyridin-1-iumyl)oxy]butoxy]-3-methylphenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-4-[4-(1-hydroxypyridin-1-ium-3-yl)oxybutoxy]-3-methylphenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-4-[4-(1-hydroxypyridin-1-ium-3-yl)oxybutoxy]-3-methyl-phenyl]-3-methyl-butan-1-one Formula: C21H28NO5+ MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=C[N+](=CC=C2)O

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=C[N+](=CC=C2)O

InChI

InChI=1S/C21H27NO5/c1-15(2)13-19(23)18-8-9-20(16(3)21(18)24)27-12-5-4-11-26-17-7-6-10-22(25)14-17/h6-10,14-15H,4-5,11-13H2,1-3H3,(H-,23,24,25)/p+1