N-[(Z)-1-[(1S,3R)-3-nitrocyclohexyl]ethylideneamino]-2-pyridin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(Z)-1-[(1S,3R)-3-nitrocyclohexyl]ethylideneamino]-2-pyridin-1-ium-1-yl-ethanamide Openeye Name: N-[(Z)-1-[(1S,3R)-3-nitrocyclohexyl]ethylideneamino]-2-pyridin-1-ium-1-yl-acetamide CAS Name: N-[(Z)-1-[(1S,3R)-3-nitrocyclohexyl]ethylideneamino]-2-(1-pyridin-1-iumyl)acetamide IUPAC Name: N-[(Z)-1-[(1S,3R)-3-nitrocyclohexyl]ethylideneamino]-2-pyridin-1-ium-1-ylacetamide Traditional Name: N-[(Z)-1-[(1S,3R)-3-nitrocyclohexyl]ethylideneamino]-2-pyridin-1-ium-1-yl-acetamide Formula: C15H21N4O3+ MolecularWeight: 305.35224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C[N+]1=CC=CC=C1)C2CCCC(C2)[N+](=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)C[N+]1=CC=CC=C1)/[C@H]2CCC[C@H](C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O3/c1-12(13-6-5-7-14(10-13)19(21)22)16-17-15(20)11-18-8-3-2-4-9-18/h2-4,8-9,13-14H,5-7,10-11H2,1H3/p+1/b16-12-/t13-,14+/m0/s1