N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3H-benzimidazole-5-carboxamide Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C20H23N5O/c1-14-11-16(25-9-7-24(2)8-10-25)4-6-17(14)23-20(26)15-3-5-18-19(12-15)22-13-21-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)(H,23,26)/p+1