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

Systemtic Name: ethyl 6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]nicotinic acid ethyl ester Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-3-23-17(22)14-4-5-16(18-10-14)21-8-6-20(7-9-21)11-15-12-24-13(2)19-15/h4-5,10,12H,3,6-9,11H2,1-2H3/p+1