4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine Openeye Name: 3-allyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)thiazol-3-ium-2-amine CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumamine IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine Traditional Name: [3-allyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-3-ium-2-yl]-(4-methoxyphenyl)amine Formula: C21H21N2O3S+ MolecularWeight: 381.46804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC4=C(C=C3)OCCO4)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC4=C(C=C3)OCCO4)CC=C

InChI

InChI=1S/C21H20N2O3S/c1-3-10-23-18(15-4-9-19-20(13-15)26-12-11-25-19)14-27-21(23)22-16-5-7-17(24-2)8-6-16/h3-9,13-14H,1,10-12H2,2H3/p+1