N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)-4-nitro-benzamide

Systemtic Name: N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)-4-nitro-benzamide Openeye Name: N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)-4-nitro-benzamide CAS Name: N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)-4-nitrobenzamide IUPAC Name: N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)-4-nitrobenzamide Traditional Name: N-(1,4,5,6,7,8-hexahydro-1,3-diazocin-3-ium-2-yl)-4-nitro-benzamide Formula: C13H17N4O3+ MolecularWeight: 277.29908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=[NH+]CC1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=[NH+]CC1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O3/c18-12(10-4-6-11(7-5-10)17(19)20)16-13-14-8-2-1-3-9-15-13/h4-7H,1-3,8-9H2,(H2,14,15,16,18)/p+1