2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C18H22N4O2S/c1-13-4-2-3-5-15(13)22-9-7-21(8-10-22)12-16(23)20-18-14(17(19)24)6-11-25-18/h2-6,11H,7-10,12H2,1H3,(H2,19,24)(H,20,23)/p+1