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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[2-(3-methoxy-4-methyl-phenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[2-(3-methoxy-4-methyl-phenyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[2-(3-methoxy-4-methylphenyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[2-(3-methoxy-4-methylphenyl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[2-(3-methoxy-4-methyl-phenyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)C)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)C)OC)C

InChI

InChI=1S/C24H31N3O3/c1-17-6-5-7-21(19(17)3)25-23(28)16-26-10-12-27(13-11-26)24(29)15-20-9-8-18(2)22(14-20)30-4/h5-9,14H,10-13,15-16H2,1-4H3,(H,25,28)/p+1