6-[(5-nitropyridin-1-ium-2-yl)amino]-N-(pyridin-2-ylmethyl)hexanamide

Systemtic Name: 6-[(5-nitropyridin-1-ium-2-yl)amino]-N-(pyridin-2-ylmethyl)hexanamide Openeye Name: 6-[(5-nitropyridin-1-ium-2-yl)amino]-N-(2-pyridylmethyl)hexanamide CAS Name: 6-[(5-nitro-2-pyridin-1-iumyl)amino]-N-(2-pyridinylmethyl)hexanamide IUPAC Name: 6-[(5-nitropyridin-1-ium-2-yl)amino]-N-(pyridin-2-ylmethyl)hexanamide Traditional Name: 6-[(5-nitropyridin-1-ium-2-yl)amino]-N-(2-pyridylmethyl)hexanamide Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)CCCCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)CCCCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c23-17(21-12-14-6-3-5-10-18-14)7-2-1-4-11-19-16-9-8-15(13-20-16)22(24)25/h3,5-6,8-10,13H,1-2,4,7,11-12H2,(H,19,20)(H,21,23)/p+1