azepan-1-ium-1-ylidene-(3-nitrophenyl)methanamine

Systemtic Name: azepan-1-ium-1-ylidene-(3-nitrophenyl)methanamine Openeye Name: azepan-1-ium-1-ylidene-(3-nitrophenyl)methanamine CAS Name: 1-azepan-1-iumylidene-(3-nitrophenyl)methanamine IUPAC Name: azepan-1-ium-1-ylidene-(3-nitrophenyl)methanamine Traditional Name: [azepan-1-ium-1-ylidene-(3-nitrophenyl)methyl]amine Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c14-13(15-8-3-1-2-4-9-15)11-6-5-7-12(10-11)16(17)18/h5-7,10,14H,1-4,8-9H2/p+1