N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)quinoline-8-carboxamide

Systemtic Name: N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)quinoline-8-carboxamide Openeye Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)quinoline-8-carboxamide CAS Name: N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-8-quinolinecarboxamide IUPAC Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)quinoline-8-carboxamide Traditional Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)quinoline-8-carboxamide Formula: C21H25ClN5O2+ MolecularWeight: 414.9085

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC=CC4=C3N=CC=C4)Cl

Isomeric SMILES

CN1C=C(C(=N1)CN(CC[NH+]2CCOCC2)C(=O)C3=CC=CC4=C3N=CC=C4)Cl

InChI

InChI=1S/C21H24ClN5O2/c1-25-14-18(22)19(24-25)15-27(9-8-26-10-12-29-13-11-26)21(28)17-6-2-4-16-5-3-7-23-20(16)17/h2-7,14H,8-13,15H2,1H3/p+1