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

Systemtic Name: N,N-diethyl-3-[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzamide Openeye Name: N,N-diethyl-3-[[2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide CAS Name: N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Traditional Name: N,N-diethyl-3-[[2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Formula: C25H36N4O2+2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O2/c1-4-29(5-2)25(31)21-11-8-12-23(17-21)26-24(30)19-28-15-13-27(14-16-28)18-22-10-7-6-9-20(22)3/h6-12,17H,4-5,13-16,18-19H2,1-3H3,(H,26,30)/p+2