N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-methyl-pyrazine-2-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-methyl-pyrazine-2-carboxamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-methyl-pyrazine-2-carboxamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-5-methyl-2-pyrazinecarboxamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-methylpyrazine-2-carboxamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-methyl-pyrazinamide Formula: C18H23ClN5O+ MolecularWeight: 360.86112

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C18H22ClN5O/c1-3-23-6-8-24(9-7-23)17-5-4-14(19)10-15(17)22-18(25)16-12-20-13(2)11-21-16/h4-5,10-12H,3,6-9H2,1-2H3,(H,22,25)/p+1