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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[3-(4-ethylphenyl)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C25H33N3O2/c1-4-21-8-10-22(11-9-21)12-13-25(30)28-16-14-27(15-17-28)18-24(29)26-23-7-5-6-19(2)20(23)3/h5-11H,4,12-18H2,1-3H3,(H,26,29)/p+1