2-[1,3-benzodioxol-5-ylcarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzodioxol-5-ylcarbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzodioxole-5-carbonyl-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzodioxole-5-carbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-piperonyloyl-amino]ethyl-dimethyl-ammonium Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN(CC[NH+](C)C)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN(CC[NH+](C)C)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H22N4O4S/c1-12-10-27-18(19-12)20-16(23)9-22(7-6-21(2)3)17(24)13-4-5-14-15(8-13)26-11-25-14/h4-5,8,10H,6-7,9,11H2,1-3H3,(H,19,20,23)/p+1