2-[[2,3-dihydro-1,4-benzodioxin-6-yl-[(2-prop-2-enoxyphenyl)methyl]carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl-[(2-prop-2-enoxyphenyl)methyl]carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2-allyloxyphenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2,3-dihydro-1,4-benzodioxin-6-yl-[(2-prop-2-enoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl-[(2-prop-2-enoxyphenyl)methyl]carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2-allyloxybenzyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N(CC1=CC=CC=C1OCC=C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+](C)CCNC(=S)N(CC1=CC=CC=C1OCC=C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H29N3O3S/c1-4-13-27-20-8-6-5-7-18(20)17-26(23(30)24-11-12-25(2)3)19-9-10-21-22(16-19)29-15-14-28-21/h4-10,16H,1,11-15,17H2,2-3H3,(H,24,30)/p+1