N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-imidazole-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-imidazole-4-carboxamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-imidazole-4-carboxamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-phenyl-4-imidazolecarboxamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylimidazole-4-carboxamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenyl-imidazole-4-carboxamide Formula: C21H23ClN5O+ MolecularWeight: 396.89322

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CN=CN3C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5O/c1-25-9-11-26(12-10-25)19-8-7-16(22)13-18(19)24-21(28)20-14-23-15-27(20)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H,24,28)/p+1