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

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C21H24N4O2S/c22-14-16-15-4-3-7-19(15)28-21(16)23-20(27)8-9-24-10-12-25(13-11-24)17-5-1-2-6-18(17)26/h1-2,5-6,26H,3-4,7-13H2,(H,23,27)/p+1