(3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C29H32N3O3+ MolecularWeight: 470.58268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H31N3O3/c1-3-31-13-15-32(16-14-31)26-12-10-24(17-20(26)2)30-28(33)22-9-11-25-23(18-22)19-27(35-29(25)34)21-7-5-4-6-8-21/h4-12,17-18,27H,3,13-16,19H2,1-2H3,(H,30,33)/p+1/t27-/m0/s1