2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-phenyl-acetamide Formula: C22H31N3O3+2 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)OC)OC

InChI

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