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1-azanylidene-3-[(2-nitrophenyl)methyl]azepan-1-ium

1-azanylidene-3-[(2-nitrophenyl)methyl]azepan-1-ium

Systemtic Name:1-azanylidene-3-[(2-nitrophenyl)methyl]azepan-1-ium
Openeye Name:1-imino-3-[(2-nitrophenyl)methyl]azepan-1-ium
CAS Name:1-imino-3-[(2-nitrophenyl)methyl]azepan-1-ium
IUPAC Name:1-imino-3-[(2-nitrophenyl)methyl]azepan-1-ium
Traditional Name:1-imino-3-(2-nitrobenzyl)azepan-1-ium
Formula: C13H18N3O2+
MolecularWeight: 248.30092
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=N)CC(C1)CC2=CC=CC=C2[N+](=O)[O-]


Isomeric SMILES

C1CC[N+](=N)CC(C1)CC2=CC=CC=C2[N+](=O)[O-]


InChI

InChI=1S/C13H18N3O2/c14-15-8-4-3-5-11(10-15)9-12-6-1-2-7-13(12)16(17)18/h1-2,6-7,11,14H,3-5,8-10H2/q+1


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