2-[2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H27N4O3S+ MolecularWeight: 391.50768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4CC4)C(=O)N

InChI

InChI=1S/C19H26N4O3S/c20-17(25)16-13-3-1-2-4-14(13)27-18(16)21-15(24)11-22-7-9-23(10-8-22)19(26)12-5-6-12/h12H,1-11H2,(H2,20,25)(H,21,24)/p+1