4-(azepan-1-ium-1-ylmethyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-3-nitro-benzamide CAS Name: 4-(1-azepan-1-iumylmethyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-3-nitro-benzamide Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3/c15-14(18)11-5-6-12(13(9-11)17(19)20)10-16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2,(H2,15,18)/p+1