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

Systemtic Name: N-(2,4-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-(4-m-anisylpiperazin-1-ium-1-yl)acetamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-17-7-8-21(18(2)13-17)23-22(26)16-25-11-9-24(10-12-25)15-19-5-4-6-20(14-19)27-3/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,23,26)/p+1