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

Systemtic Name: ethyl 6-[4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[3-[(5-methylisoxazol-3-yl)amino]-3-oxo-propyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[3-[(5-methyl-3-isoxazolyl)amino]-3-oxopropyl]-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[3-keto-3-[(5-methylisoxazol-3-yl)amino]propyl]piperazin-4-ium-1-yl]nicotinic acid ethyl ester Formula: C19H26N5O4+ MolecularWeight: 388.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4/c1-3-27-19(26)15-4-5-17(20-13-15)24-10-8-23(9-11-24)7-6-18(25)21-16-12-14(2)28-22-16/h4-5,12-13H,3,6-11H2,1-2H3,(H,21,22,25)/p+1