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

Systemtic Name: N-methyl-3-[2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzamide Openeye Name: N-methyl-3-[[2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide CAS Name: N-methyl-3-[[2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-methyl-3-[[2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Traditional Name: N-methyl-3-[[2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Formula: C22H30N4O2+2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-17-5-3-6-18(13-17)15-25-9-11-26(12-10-25)16-21(27)24-20-8-4-7-19(14-20)22(28)23-2/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,23,28)(H,24,27)/p+2