methyl 3-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamoyl]pyridine-4-carboxylate

Systemtic Name: methyl 3-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamoyl]pyridine-4-carboxylate Openeye Name: methyl 3-[(4-chloro-1-methyl-pyrazol-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamoyl]pyridine-4-carboxylate CAS Name: 3-[[(4-chloro-1-methyl-3-pyrazolyl)methyl-[2-(4-morpholin-4-iumyl)ethyl]amino]-oxomethyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-1-methylpyrazol-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamoyl]pyridine-4-carboxylate Traditional Name: 3-[(4-chloro-1-methyl-pyrazol-3-yl)methyl-(2-morpholin-4-ium-4-ylethyl)carbamoyl]isonicotinic acid methyl ester Formula: C19H25ClN5O4+ MolecularWeight: 422.8859

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)CN(CC[NH+]2CCOCC2)C(=O)C3=C(C=CN=C3)C(=O)OC)Cl

Isomeric SMILES

CN1C=C(C(=N1)CN(CC[NH+]2CCOCC2)C(=O)C3=C(C=CN=C3)C(=O)OC)Cl

InChI

InChI=1S/C19H24ClN5O4/c1-23-12-16(20)17(22-23)13-25(6-5-24-7-9-29-10-8-24)18(26)15-11-21-4-3-14(15)19(27)28-2/h3-4,11-12H,5-10,13H2,1-2H3/p+1