[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-oxidanylidene-propyl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-oxidanylidene-propyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-oxo-propyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-3-oxopropyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-oxopropyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-keto-propyl]-m-anisyl-methyl-ammonium Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)CC3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](CCC(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N3O5/c1-24(14-15-4-3-5-17(12-15)27-2)9-8-20(25)23-21(26)22-16-6-7-18-19(13-16)29-11-10-28-18/h3-7,12-13H,8-11,14H2,1-2H3,(H2,22,23,25,26)/p+1