2-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C(=O)N)C

InChI

InChI=1S/C20H26N4O2S/c1-14-4-3-5-17(15(14)2)24-11-9-23(10-12-24)8-6-18(25)22-20-16(19(21)26)7-13-27-20/h3-5,7,13H,6,8-12H2,1-2H3,(H2,21,26)(H,22,25)/p+1