(2S)-1-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azepan-1-ium-2-carboxamide

Systemtic Name: (2S)-1-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azepan-1-ium-2-carboxamide Openeye Name: (2S)-1-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azepan-1-ium-2-carboxamide CAS Name: (2S)-1-methyl-N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-2-azepan-1-iumcarboxamide IUPAC Name: (2S)-1-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azepan-1-ium-2-carboxamide Traditional Name: (2S)-1-methyl-N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]azepan-1-ium-2-carboxamide Formula: C23H35N6O+3 MolecularWeight: 411.5636

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCCC1C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[NH+]1CCCCC[C@H]1C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H32N6O/c1-27-13-6-2-3-9-20(27)23(30)26-18-19-8-7-12-25-22(19)29-16-14-28(15-17-29)21-10-4-5-11-24-21/h4-5,7-8,10-12,20H,2-3,6,9,13-18H2,1H3,(H,26,30)/p+3/t20-/m0/s1