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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[3-(3-methyl-2-oxo-1-benzimidazolyl)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[3-(2-keto-3-methyl-benzimidazol-1-yl)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H32N5O3+ MolecularWeight: 450.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCN3C4=CC=CC=C4N(C3=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCN3C4=CC=CC=C4N(C3=O)C)C

InChI

InChI=1S/C25H31N5O3/c1-18-7-6-8-20(19(18)2)26-23(31)17-28-13-15-29(16-14-28)24(32)11-12-30-22-10-5-4-9-21(22)27(3)25(30)33/h4-10H,11-17H2,1-3H3,(H,26,31)/p+1