methyl 2-[3-(4-methoxyphenyl)-5-morpholin-4-ium-4-ylidene-1,2,4-thiadiazol-2-yl]ethanoate perchlorate

Systemtic Name: methyl 2-[3-(4-methoxyphenyl)-5-morpholin-4-ium-4-ylidene-1,2,4-thiadiazol-2-yl]ethanoate perchlorate Openeye Name: methyl 2-[3-(4-methoxyphenyl)-5-morpholin-4-ium-4-ylidene-1,2,4-thiadiazol-2-yl]acetate perchlorate CAS Name: 2-[3-(4-methoxyphenyl)-5-(4-morpholin-4-iumylidene)-1,2,4-thiadiazol-2-yl]acetic acid methyl ester perchlorate IUPAC Name: methyl 2-[3-(4-methoxyphenyl)-5-morpholin-4-ium-4-ylidene-1,2,4-thiadiazol-2-yl]acetate perchlorate Traditional Name: 2-[3-(4-methoxyphenyl)-5-morpholin-4-ium-4-ylidene-1,2,4-thiadiazol-2-yl]acetic acid methyl ester perchlorate Formula: C16H20ClN3O8S MolecularWeight: 449.8633

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=[N+]3CCOCC3)SN2CC(=O)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=[N+]3CCOCC3)SN2CC(=O)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H20N3O4S.ClHO4/c1-21-13-5-3-12(4-6-13)15-17-16(18-7-9-23-10-8-18)24-19(15)11-14(20)22-2;2-1(3,4)5/h3-6H,7-11H2,1-2H3;(H,2,3,4,5)/q+1;/p-1