2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C20H26N4O3S/c1-13-14(2)28-20(18(13)19(21)26)22-17(25)12-23-8-10-24(11-9-23)15-6-4-5-7-16(15)27-3/h4-7H,8-12H2,1-3H3,(H2,21,26)(H,22,25)/p+1