2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[3-(1H-benzimidazol-2-yl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C24H29N5O2/c1-17-6-5-9-19(18(17)2)27-23(30)16-28-12-14-29(15-13-28)24(31)11-10-22-25-20-7-3-4-8-21(20)26-22/h3-9H,10-16H2,1-2H3,(H,25,26)(H,27,30)/p+1