2-[[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[methyl-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]methyl]-1H-quinazolin-4-one Formula: C19H22N5O3S+ MolecularWeight: 400.47468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H21N5O3S/c1-23(13-17-21-16-7-3-2-6-15(16)19(25)22-17)18-9-8-14(12-20-18)28(26,27)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,22,25)/p+1