N-(2,3-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3,5-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(3,5-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(3,5-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-16-12-17(2)14-20(13-16)23(28)26-10-8-25(9-11-26)15-22(27)24-21-7-5-6-18(3)19(21)4/h5-7,12-14H,8-11,15H2,1-4H3,(H,24,27)/p+1