2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[4-(dimethylcarbamoyl)anilino]-2-keto-ethyl]-methyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)NC3=CC=C(C=C3)C(=O)N(C)C

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)NC3=CC=C(C=C3)C(=O)N(C)C

InChI

InChI=1S/C21H25N3O4/c1-23(2)21(26)16-5-7-17(8-6-16)22-20(25)14-24(3)13-15-4-9-18-19(12-15)28-11-10-27-18/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25)/p+1