5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CC2=C(C1)SC(=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C17H19N3OS/c21-17(16-12-13-2-1-3-15(13)22-16)20-10-8-19(9-11-20)14-4-6-18-7-5-14/h4-7,12H,1-3,8-11H2/p+1