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

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: N-(m-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=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

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