ethyl 2-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H26N4O4S/c1-4-28-19(26)18-14(2)21-20(29-18)22-17(25)13-23-9-11-24(12-10-23)15-5-7-16(27-3)8-6-15/h5-8H,4,9-13H2,1-3H3,(H,21,22,25)/p+1