4-methyl-7-(4-pyridin-1-ium-1-ylbutoxy)chromen-2-one

Systemtic Name: 4-methyl-7-(4-pyridin-1-ium-1-ylbutoxy)chromen-2-one Openeye Name: 4-methyl-7-(4-pyridin-1-ium-1-ylbutoxy)chromen-2-one CAS Name: 4-methyl-7-[4-(1-pyridin-1-iumyl)butoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-(4-pyridin-1-ium-1-ylbutoxy)chromen-2-one Traditional Name: 4-methyl-7-(4-pyridin-1-ium-1-ylbutoxy)coumarin Formula: C19H20NO3+ MolecularWeight: 310.367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCCCC[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCCCC[N+]3=CC=CC=C3

InChI

InChI=1S/C19H20NO3/c1-15-13-19(21)23-18-14-16(7-8-17(15)18)22-12-6-5-11-20-9-3-2-4-10-20/h2-4,7-10,13-14H,5-6,11-12H2,1H3/q+1