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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C22H29N3O/c1-16-8-9-20(14-18(16)3)23-22(26)15-24-10-12-25(13-11-24)21-7-5-6-17(2)19(21)4/h5-9,14H,10-13,15H2,1-4H3,(H,23,26)/p+1