4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitrobenzamide IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-benzamide Formula: C13H19N4O3+ MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O3/c1-15-5-2-6-16(8-7-15)11-4-3-10(13(14)18)9-12(11)17(19)20/h3-4,9H,2,5-8H2,1H3,(H2,14,18)/p+1