5-ethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-[1,3]dioxolo[4,5-g]quinolin-8-one

Systemtic Name: 5-ethyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-[1,3]dioxolo[4,5-g]quinolin-8-one Openeye Name: 5-ethyl-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-[1,3]dioxolo[4,5-g]quinolin-8-one CAS Name: 5-ethyl-7-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one IUPAC Name: 5-ethyl-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-[1,3]dioxolo[4,5-g]quinolin-8-one Traditional Name: 5-ethyl-7-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-[1,3]dioxolo[4,5-g]quinolin-8-one Formula: C22H23N4O4+ MolecularWeight: 407.44242

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H22N4O4/c1-2-24-13-16(21(27)15-11-18-19(12-17(15)24)30-14-29-18)22(28)26-9-7-25(8-10-26)20-5-3-4-6-23-20/h3-6,11-13H,2,7-10,14H2,1H3/p+1