ethyl 6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]nicotinic acid ethyl ester Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N4O3S/c1-3-30-23(28)18-6-9-21(24-14-18)27-12-10-26(11-13-27)15-19-16-31-22(25-19)17-4-7-20(29-2)8-5-17/h4-9,14,16H,3,10-13,15H2,1-2H3/p+1