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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-[(2-methoxycarbonylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2-methoxycarbonyl-N-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(2-carbomethoxy-N-methyl-anilino)-2-keto-ethyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)N(C)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H24N2O5/c1-22(13-15-8-9-18-19(12-15)28-11-10-27-18)14-20(24)23(2)17-7-5-4-6-16(17)21(25)26-3/h4-9,12H,10-11,13-14H2,1-3H3/p+1