N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H31N3O3+2 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H29N3O3/c1-24-10-12-25(13-11-24)16-22(26)23-15-19-8-9-20(21(14-19)27-2)28-17-18-6-4-3-5-7-18/h3-9,14H,10-13,15-17H2,1-2H3,(H,23,26)/p+2