N-[1-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide

Systemtic Name: N-[1-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide Openeye Name: N-[1-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide CAS Name: N-[1-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-4-piperidin-1-iumyl]methanesulfonamide IUPAC Name: N-[1-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide Traditional Name: N-[1-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-yl]methanesulfonamide Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)NS(=O)(=O)C

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)NS(=O)(=O)C

InChI

InChI=1S/C16H22N4O3S/c1-11(20-9-7-12(8-10-20)19-24(2,22)23)15-17-14-6-4-3-5-13(14)16(21)18-15/h3-6,11-12,19H,7-10H2,1-2H3,(H,17,18,21)/p+1/t11-/m1/s1