4-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-N,N-diethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-N,N-diethylpiperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-sulfonamide Formula: C19H30N5O5S+ MolecularWeight: 440.537

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C19H29N5O5S/c1-5-23(6-2)30(26,27)24-9-7-22(8-10-24)13-18-20-15-12-17(29-4)16(28-3)11-14(15)19(25)21-18/h11-12H,5-10,13H2,1-4H3,(H,20,21,25)/p+1