azepan-1-ium-1-ylidene-(3-iodanyl-5-nitro-phenyl)methanamine

Systemtic Name: azepan-1-ium-1-ylidene-(3-iodanyl-5-nitro-phenyl)methanamine Openeye Name: azepan-1-ium-1-ylidene-(3-iodo-5-nitro-phenyl)methanamine CAS Name: 1-azepan-1-iumylidene-(3-iodo-5-nitrophenyl)methanamine IUPAC Name: azepan-1-ium-1-ylidene-(3-iodo-5-nitrophenyl)methanamine Traditional Name: [azepan-1-ium-1-ylidene-(3-iodo-5-nitro-phenyl)methyl]amine Formula: C13H17IN3O2+ MolecularWeight: 374.19745

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](=C(C2=CC(=CC(=C2)I)[N+](=O)[O-])N)CC1

Isomeric SMILES

C1CCC[N+](=C(C2=CC(=CC(=C2)I)[N+](=O)[O-])N)CC1

InChI

InChI=1S/C13H16IN3O2/c14-11-7-10(8-12(9-11)17(18)19)13(15)16-5-3-1-2-4-6-16/h7-9,15H,1-6H2/p+1