N-(3-methoxyphenyl)-5-nitro-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzamide

Systemtic Name: N-(3-methoxyphenyl)-5-nitro-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]benzamide Openeye Name: N-(3-methoxyphenyl)-5-nitro-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide CAS Name: N-(3-methoxyphenyl)-5-nitro-2-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]benzamide IUPAC Name: N-(3-methoxyphenyl)-5-nitro-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Traditional Name: N-(3-methoxyphenyl)-5-nitro-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]benzamide Formula: C25H25N4O5+ MolecularWeight: 461.4898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H24N4O5/c1-34-21-8-4-7-19(13-21)26-25(31)22-14-20(29(32)33)9-10-23(22)27-24(30)16-28-12-11-17-5-2-3-6-18(17)15-28/h2-10,13-14H,11-12,15-16H2,1H3,(H,26,31)(H,27,30)/p+1