2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-keto-2-(m-anisidino)-1-methyl-ethyl]-methyl-ammonium Formula: C20H25N2O4+ MolecularWeight: 357.4235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)OC)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H24N2O4/c1-14(20(23)21-16-5-4-6-17(12-16)24-3)22(2)13-15-7-8-18-19(11-15)26-10-9-25-18/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,21,23)/p+1/t14-/m0/s1