ethyl 6-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]nicotinic acid ethyl ester Formula: C19H28N5O3+ MolecularWeight: 374.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=NC(=NO3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=NC(=NO3)C(C)(C)C

InChI

InChI=1S/C19H27N5O3/c1-5-26-17(25)14-6-7-15(20-12-14)24-10-8-23(9-11-24)13-16-21-18(22-27-16)19(2,3)4/h6-7,12H,5,8-11,13H2,1-4H3/p+1