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

Systemtic Name: (6S)-6-methyl-2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-methyl-2-[[2-(4-propanoylpiperazin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-methyl-2-[[1-oxo-2-[4-(1-oxopropyl)-1-piperazin-1-iumyl]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-methyl-2-[[2-(4-propanoylpiperazin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-6-methyl-2-[[2-(4-propionylpiperazin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

Isomeric SMILES

CCC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C3=C(S2)C[C@H](CC3)C)C(=O)N

InChI

InChI=1S/C19H28N4O3S/c1-3-16(25)23-8-6-22(7-9-23)11-15(24)21-19-17(18(20)26)13-5-4-12(2)10-14(13)27-19/h12H,3-11H2,1-2H3,(H2,20,26)(H,21,24)/p+1/t12-/m0/s1