methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[2-(phenylsulfonyl)ethyl]azanium

Systemtic Name: methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[2-(phenylsulfonyl)ethyl]azanium Openeye Name: 2-(benzenesulfonyl)ethyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: 2-(benzenesulfonyl)ethyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: 2-(benzenesulfonyl)ethyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: 2-besylethyl-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCS(=O)(=O)C1=CC=CC=C1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[NH+](CCS(=O)(=O)C1=CC=CC=C1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H19N3O3S/c1-21(11-12-25(23,24)14-7-3-2-4-8-14)13-17-19-16-10-6-5-9-15(16)18(22)20-17/h2-10H,11-13H2,1H3,(H,19,20,22)/p+1