ethyl 4-[2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: ethyl 4-[2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: ethyl 4-[2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-4-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiazol-4-yl]benzoic acid ethyl ester Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCC(CC3)C

InChI

InChI=1S/C20H25N3O3S/c1-3-26-19(25)16-6-4-15(5-7-16)17-13-27-20(21-17)22-18(24)12-23-10-8-14(2)9-11-23/h4-7,13-14H,3,8-12H2,1-2H3,(H,21,22,24)/p+1