2-oxidanylidene-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: 2-oxidanylidene-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: 2-oxo-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-N-(2-thienylmethyl)-1H-pyridine-3-carboxamide CAS Name: 2-oxo-6-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: 2-oxo-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: 2-keto-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-N-(2-thenyl)-1H-pyridine-3-carboxamide Formula: C21H25N5O2S+2 MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C(=O)N2)C(=O)NCC3=CC=CS3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C(=O)N2)C(=O)NCC3=CC=CS3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H23N5O2S/c27-20(23-14-17-4-3-13-29-17)18-7-6-16(24-21(18)28)15-25-9-11-26(12-10-25)19-5-1-2-8-22-19/h1-8,13H,9-12,14-15H2,(H,23,27)(H,24,28)/p+2