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

Systemtic Name: 2-[2-[4-[(4-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-(p-tolylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-[(4-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-[(4-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-(4-methylbenzyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Formula: C21H28N4O2+2 MolecularWeight: 368.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H26N4O2/c1-16-6-8-17(9-7-16)14-24-10-12-25(13-11-24)15-20(26)23-19-5-3-2-4-18(19)21(22)27/h2-9H,10-15H2,1H3,(H2,22,27)(H,23,26)/p+2