[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino] 2-methylpyrazole-3-carboxylate

Systemtic Name: [(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino] 2-methylpyrazole-3-carboxylate Openeye Name: [(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methyleneamino] 2-methylpyrazole-3-carboxylate CAS Name: 2-methyl-3-pyrazolecarboxylic acid [(Z)-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]methylideneamino] ester IUPAC Name: [(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino] 2-methylpyrazole-3-carboxylate Traditional Name: 2-methylpyrazole-3-carboxylic acid [(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)benzylidene]amino] ester Formula: C18H23N4O4+ MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)ON=CC2=CC(=C(C=C2)OC)C[NH+]3CCOCC3

Isomeric SMILES

CN1C(=CC=N1)C(=O)O/N=C\C2=CC(=C(C=C2)OC)C[NH+]3CCOCC3

InChI

InChI=1S/C18H22N4O4/c1-21-16(5-6-19-21)18(23)26-20-12-14-3-4-17(24-2)15(11-14)13-22-7-9-25-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3/p+1/b20-12-