ethyl 5-(cyclopropylmethyl)-8-ethylsulfanyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate

Systemtic Name: ethyl 5-(cyclopropylmethyl)-8-ethylsulfanyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate Openeye Name: ethyl 5-(cyclopropylmethyl)-8-ethylsulfanyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate CAS Name: 5-(cyclopropylmethyl)-8-(ethylthio)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyclopropylmethyl)-8-ethylsulfanyl-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylate Traditional Name: 5-(cyclopropylmethyl)-8-(ethylthio)-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylic acid ethyl ester Formula: C19H22NO4S+ MolecularWeight: 360.44728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC3=C(C=C2[N+](=C1)CC4CC4)OCO3)SCC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC3=C(C=C2[N+](=C1)CC4CC4)OCO3)SCC

InChI

InChI=1S/C19H22NO4S/c1-3-22-19(21)14-10-20(9-12-5-6-12)15-8-17-16(23-11-24-17)7-13(15)18(14)25-4-2/h7-8,10,12H,3-6,9,11H2,1-2H3/q+1