1-methyl-4-[(5-nitrofuran-2-yl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-[(5-nitrofuran-2-yl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-[(5-nitro-2-furyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[(5-nitro-2-furanyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-[(5-nitrofuran-2-yl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-[(5-nitro-2-furyl)methyl]-1,4-diazepan-1-ium Formula: C11H18N3O3+ MolecularWeight: 240.27892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)CC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C11H17N3O3/c1-12-5-2-6-13(8-7-12)9-10-3-4-11(17-10)14(15)16/h3-4H,2,5-9H2,1H3/p+1