2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: N-(o-tolyl)-2-(4-veratrylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H31N3O3+2 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H29N3O3/c1-17-6-4-5-7-19(17)23-22(26)16-25-12-10-24(11-13-25)15-18-8-9-20(27-2)21(14-18)28-3/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)/p+2