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

Systemtic Name: methyl 2-[3-(4-methoxyphenyl)-5-morpholin-4-ium-4-ylidene-1,2,4-thiadiazol-2-yl]ethanoate Openeye Name: methyl 2-[3-(4-methoxyphenyl)-5-morpholin-4-ium-4-ylidene-1,2,4-thiadiazol-2-yl]acetate CAS Name: 2-[3-(4-methoxyphenyl)-5-(4-morpholin-4-iumylidene)-1,2,4-thiadiazol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-methoxyphenyl)-5-morpholin-4-ium-4-ylidene-1,2,4-thiadiazol-2-yl]acetate Traditional Name: 2-[3-(4-methoxyphenyl)-5-morpholin-4-ium-4-ylidene-1,2,4-thiadiazol-2-yl]acetic acid methyl ester Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N3O4S/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/h3-6H,7-11H2,1-2H3/q+1