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

Systemtic Name: N-ethyl-3-[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzamide Openeye Name: N-ethyl-3-[[2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide CAS Name: N-ethyl-3-[[2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-ethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Traditional Name: N-ethyl-3-[[2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Formula: C23H32N4O2+2 MolecularWeight: 396.52578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C23H30N4O2/c1-3-24-23(29)19-9-6-10-21(15-19)25-22(28)17-27-13-11-26(12-14-27)16-20-8-5-4-7-18(20)2/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,29)(H,25,28)/p+2