7-chloranyl-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-1H-quinazolin-4-one Formula: C15H19ClN3O2+ MolecularWeight: 308.78326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C15H18ClN3O2/c1-9-6-19(7-10(2)21-9)8-14-17-13-5-11(16)3-4-12(13)15(20)18-14/h3-5,9-10H,6-8H2,1-2H3,(H,17,18,20)/p+1/t9-,10-/m0/s1