2-(6-chloranyl-4-methyl-quinolin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-(6-chloranyl-4-methyl-quinolin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-(6-chloro-4-methyl-quinolin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(6-chloro-4-methyl-2-quinolin-1-iumyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(6-chloro-4-methylquinolin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(6-chloro-4-methyl-quinolin-1-ium-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C20H18ClN2O3S+ MolecularWeight: 401.88652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=C(C=C2)Cl)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=C(C=C2)Cl)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H17ClN2O3S/c1-12-8-20(23-16-4-2-13(21)9-15(12)16)27-11-19(24)22-14-3-5-17-18(10-14)26-7-6-25-17/h2-5,8-10H,6-7,11H2,1H3,(H,22,24)/p+1