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

Systemtic Name: N,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine Openeye Name: 3-allyl-N,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-3-ium-2-amine CAS Name: N,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enyl-2-thiazol-3-iumamine IUPAC Name: N,4-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-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]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C22H21N2O4S+ MolecularWeight: 409.47814

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC=C1C2=CC3=C(C=C2)OCCO3)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C=CC[N+]1=C(SC=C1C2=CC3=C(C=C2)OCCO3)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H20N2O4S/c1-2-7-24-17(15-3-5-18-20(12-15)27-10-8-25-18)14-29-22(24)23-16-4-6-19-21(13-16)28-11-9-26-19/h2-6,12-14H,1,7-11H2/p+1