1-ethyl-3-iodanyl-7-methoxy-4-(3-methoxyphenoxy)-1-methyl-quinolin-1-ium-2-one

Systemtic Name: 1-ethyl-3-iodanyl-7-methoxy-4-(3-methoxyphenoxy)-1-methyl-quinolin-1-ium-2-one Openeye Name: 1-ethyl-3-iodo-7-methoxy-4-(3-methoxyphenoxy)-1-methyl-quinolin-1-ium-2-one CAS Name: 1-ethyl-3-iodo-7-methoxy-4-(3-methoxyphenoxy)-1-methyl-2-quinolin-1-iumone IUPAC Name: 1-ethyl-3-iodo-7-methoxy-4-(3-methoxyphenoxy)-1-methylquinolin-1-ium-2-one Traditional Name: 1-ethyl-3-iodo-7-methoxy-4-(3-methoxyphenoxy)-1-methyl-quinolin-1-ium-2-one Formula: C20H21INO4+ MolecularWeight: 466.28951

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=CC(=C2)OC)C(=C(C1=O)I)OC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC[N+]1(C2=C(C=CC(=C2)OC)C(=C(C1=O)I)OC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C20H21INO4/c1-5-22(2)17-12-14(25-4)9-10-16(17)19(18(21)20(22)23)26-15-8-6-7-13(11-15)24-3/h6-12H,5H2,1-4H3/q+1