4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H25N3OS/c24-20(18-15-16-7-3-1-2-4-8-17(16)25-18)23-13-11-22(12-14-23)19-9-5-6-10-21-19/h5-6,9-10,15H,1-4,7-8,11-14H2/p+1