N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide

Systemtic Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide Openeye Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide CAS Name: N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]cyclopentanecarboxamide IUPAC Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide Traditional Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide Formula: C21H29N5O+2 MolecularWeight: 367.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC(C1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H27N5O/c27-21(17-6-1-2-7-17)24-16-18-8-5-11-23-20(18)26-14-12-25(13-15-26)19-9-3-4-10-22-19/h3-5,8-11,17H,1-2,6-7,12-16H2,(H,24,27)/p+2