3-[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: N-methyl-3-[[2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide Formula: C22H30N4O3+2 MolecularWeight: 398.4986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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