ethyl 6-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]piperazin-4-ium-1-yl]nicotinic acid ethyl ester Formula: C18H24N5O4+ MolecularWeight: 374.41426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C18H23N5O4/c1-3-26-18(25)14-4-5-16(19-11-14)23-8-6-22(7-9-23)12-17(24)20-15-10-13(2)27-21-15/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,21,24)/p+1