(3R)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-1-keto-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]isochroman-3-carboxamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H23N3O3/c1-23-10-12-24(13-11-23)17-8-6-16(7-9-17)22-20(25)19-14-15-4-2-3-5-18(15)21(26)27-19/h2-9,19H,10-14H2,1H3,(H,22,25)/p+1/t19-/m1/s1