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

Systemtic Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-(phenylcarbamoyl)acetamide Formula: C22H30N4O3+2 MolecularWeight: 398.4986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-17-8-9-20(29-2)18(14-17)15-25-10-12-26(13-11-25)16-21(27)24-22(28)23-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H2,23,24,27,28)/p+2