methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: methyl-[(3-morpholinosulfonylphenyl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: methyl-[[3-(4-morpholinylsulfonyl)phenyl]methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-quinazolin-2-yl)methyl-methyl-(3-morpholinosulfonylbenzyl)ammonium Formula: C21H25N4O4S+ MolecularWeight: 429.5126

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O4S/c1-24(15-20-22-19-8-3-2-7-18(19)21(26)23-20)14-16-5-4-6-17(13-16)30(27,28)25-9-11-29-12-10-25/h2-8,13H,9-12,14-15H2,1H3,(H,22,23,26)/p+1