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

Systemtic Name: ethyl 4-methyl-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-3-26-18(25)17-14(2)20-19(27-17)21-16(24)13-22-9-11-23(12-10-22)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,20,21,24)/p+1