3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]-2-thioxo-1H-quinazolin-4-one Formula: C18H19N4OS+ MolecularWeight: 339.43466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C18H18N4OS/c23-17-14-5-1-2-6-15(14)20-18(24)22(17)12-13-7-8-19-16(11-13)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2,(H,20,24)/p+1