2-azaniumylethyl-[2-[2-[(3-nitrophenyl)carbonylamino]ethylazaniumyl]ethyl]azanium

Systemtic Name: 2-azaniumylethyl-[2-[2-[(3-nitrophenyl)carbonylamino]ethylazaniumyl]ethyl]azanium Openeye Name: 2-azaniumylethyl-[2-[2-[(3-nitrobenzoyl)amino]ethylammonio]ethyl]ammonium CAS Name: 2-ammonioethyl-[2-[2-[[(3-nitrophenyl)-oxomethyl]amino]ethylammonio]ethyl]ammonium IUPAC Name: 2-azaniumylethyl-[2-[2-[(3-nitrobenzoyl)amino]ethylazaniumyl]ethyl]azanium Traditional Name: 2-ammonioethyl-[2-[2-[(3-nitrobenzoyl)amino]ethylammonio]ethyl]ammonium Formula: C13H24N5O3+3 MolecularWeight: 298.36136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC[NH2+]CC[NH2+]CC[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC[NH2+]CC[NH2+]CC[NH3+]

InChI

InChI=1S/C13H21N5O3/c14-4-5-15-6-7-16-8-9-17-13(19)11-2-1-3-12(10-11)18(20)21/h1-3,10,15-16H,4-9,14H2,(H,17,19)/p+3