N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(3-methyl-1-oxobutyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-isovalerylpiperazin-1-ium-1-yl)propionamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CCC(=O)NC2=C(C3=C(S2)CCC3)C#N

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CCC(=O)NC2=C(C3=C(S2)CCC3)C#N

InChI

InChI=1S/C20H28N4O2S/c1-14(2)12-19(26)24-10-8-23(9-11-24)7-6-18(25)22-20-16(13-21)15-4-3-5-17(15)27-20/h14H,3-12H2,1-2H3,(H,22,25)/p+1