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

Systemtic Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-pyridin-1-ium-2-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=CC=[NH+]4

Isomeric SMILES

C1CC2=C(C1)SC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H19N3OS/c21-17(15-12-13-4-3-5-14(13)22-15)20-10-8-19(9-11-20)16-6-1-2-7-18-16/h1-2,6-7,12H,3-5,8-11H2/p+1