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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl]-methyl-piperonyl-ammonium Formula: C20H19N4O5S+ MolecularWeight: 427.45366

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c1-23(9-13-5-6-17-18(7-13)29-12-28-17)10-19(25)22-20-21-16(11-30-20)14-3-2-4-15(8-14)24(26)27/h2-8,11H,9-10,12H2,1H3,(H,21,22,25)/p+1