[3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium

Systemtic Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium Openeye Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium CAS Name: [3-acetamido-5-[(2-methoxyanilino)-oxomethyl]phenyl]methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium IUPAC Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]phenyl]methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium Traditional Name: [3-acetamido-5-[(2-methoxyphenyl)carbamoyl]benzyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium Formula: C26H28N3O5+ MolecularWeight: 462.51762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCCO3)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C26H27N3O5/c1-17(30)28-21-12-19(16-27-15-18-7-8-24-25(13-18)34-10-9-33-24)11-20(14-21)26(31)29-22-5-3-4-6-23(22)32-2/h3-8,11-14,27H,9-10,15-16H2,1-2H3,(H,28,30)(H,29,31)/p+1