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2-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-benzimidazole

2-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-benzimidazole

Systemtic Name:2-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-benzimidazole
Openeye Name:2-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-benzimidazole
CAS Name:2-(1-azepan-1-iumylmethyl)-6-nitro-1H-benzimidazole
IUPAC Name:2-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-benzimidazole
Traditional Name:2-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-benzimidazole
Formula: C14H19N4O2+
MolecularWeight: 275.32626
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C14H18N4O2/c19-18(20)11-5-6-12-13(9-11)16-14(15-12)10-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,15,16)/p+1


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