6,7-diethoxy-3-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,7-diethoxy-3-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-diethoxy-3-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-diethoxy-3-[2-(2-methyl-1-piperidin-1-iumyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-diethoxy-3-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC[NH+]3CCCCC3C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC[NH+]3CCCCC3C)OCC

InChI

InChI=1S/C20H29N3O3S/c1-4-25-17-12-15-16(13-18(17)26-5-2)21-20(27)23(19(15)24)11-10-22-9-7-6-8-14(22)3/h12-14H,4-11H2,1-3H3,(H,21,27)/p+1