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

Systemtic Name: ethyl 4-methyl-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-3-27-20(26)19-15(2)22-21(28-19)23-18(25)14-24-11-9-17(10-12-24)13-16-7-5-4-6-8-16/h4-8,17H,3,9-14H2,1-2H3,(H,22,23,25)/p+1