2,1,3-benzothiadiazol-5-ylmethyl-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-methyl-azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[2-(4-methoxycarbonylphenyl)-5-methyl-oxazol-4-yl]methyl]-methyl-ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[2-(4-methoxycarbonylphenyl)-5-methyl-4-oxazolyl]methyl]-methylammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-methylazanium Traditional Name: [2-(4-carbomethoxyphenyl)-5-methyl-oxazol-4-yl]methyl-methyl-(piazthiol-5-ylmethyl)ammonium Formula: C21H21N4O3S+ MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+](C)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+](C)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H20N4O3S/c1-13-19(12-25(2)11-14-4-9-17-18(10-14)24-29-23-17)22-20(28-13)15-5-7-16(8-6-15)21(26)27-3/h4-10H,11-12H2,1-3H3/p+1