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

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C19H23N6OS+ MolecularWeight: 383.49052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=O)CC[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H22N6OS/c20-13-15-14-3-1-4-16(14)27-18(15)23-17(26)5-8-24-9-11-25(12-10-24)19-21-6-2-7-22-19/h2,6-7H,1,3-5,8-12H2,(H,23,26)/p+1