3-azaniumylpropyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: 3-azaniumylpropyl-[(4-nitrophenyl)methyl]azanium Openeye Name: 3-azaniumylpropyl-[(4-nitrophenyl)methyl]ammonium CAS Name: 3-ammoniopropyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 3-azaniumylpropyl-[(4-nitrophenyl)methyl]azanium Traditional Name: 3-ammoniopropyl-(4-nitrobenzyl)ammonium Formula: C10H17N3O2+2 MolecularWeight: 211.26088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CCC[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CCC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C10H15N3O2/c11-6-1-7-12-8-9-2-4-10(5-3-9)13(14)15/h2-5,12H,1,6-8,11H2/p+2