N-(3-methylphenyl)-2-[2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(3-methylphenyl)-2-[2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-(m-tolyl)-2-[[2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(3-methylphenyl)-2-[[1-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(3-methylphenyl)-2-[[2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-(m-tolyl)-2-[[2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C25H28N4O2S/c1-19-5-4-6-21(15-19)26-25(31)22-7-2-3-8-23(22)27-24(30)17-29-12-10-28(11-13-29)16-20-9-14-32-18-20/h2-9,14-15,18H,10-13,16-17H2,1H3,(H,26,31)(H,27,30)/p+1