N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[[2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C19H24N4O2/c1-22(17-7-3-2-4-8-17)18-16(6-5-11-20-18)14-21-19(24)15-9-12-23(25)13-10-15/h5-6,9-13,17H,2-4,7-8,14H2,1H3,(H,21,24)/p+1