2-[[1,3-benzodioxol-5-yl-[(2-prop-2-enoxyphenyl)methyl]carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1,3-benzodioxol-5-yl-[(2-prop-2-enoxyphenyl)methyl]carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2-allyloxyphenyl)methyl-(1,3-benzodioxol-5-yl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1,3-benzodioxol-5-yl-[(2-prop-2-enoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1,3-benzodioxol-5-yl-[(2-prop-2-enoxyphenyl)methyl]carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2-allyloxybenzyl)-(1,3-benzodioxol-5-yl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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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)OCO3

Isomeric SMILES

C[NH+](C)CCNC(=S)N(CC1=CC=CC=C1OCC=C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H27N3O3S/c1-4-13-26-19-8-6-5-7-17(19)15-25(22(29)23-11-12-24(2)3)18-9-10-20-21(14-18)28-16-27-20/h4-10,14H,1,11-13,15-16H2,2-3H3,(H,23,29)/p+1