5-(3-chlorophenyl)-N,N-diethyl-1,2,3,4-tetrazolidin-2-ium-2-amine; 4-methyl-3-nitro-benzoate

Systemtic Name: 5-(3-chlorophenyl)-N,N-diethyl-1,2,3,4-tetrazolidin-2-ium-2-amine; 4-methyl-3-nitro-benzoate Openeye Name: 5-(3-chlorophenyl)-N,N-diethyl-tetrazolidin-2-ium-2-amine; 4-methyl-3-nitro-benzoate CAS Name: 5-(3-chlorophenyl)-N,N-diethyl-2-tetrazolidin-2-iumamine; 4-methyl-3-nitrobenzoate IUPAC Name: 5-(3-chlorophenyl)-N,N-diethyltetrazolidin-2-ium-2-amine; 4-methyl-3-nitrobenzoate Traditional Name: [5-(3-chlorophenyl)tetrazolidin-2-ium-2-yl]-diethyl-amine; 4-methyl-3-nitro-benzoate Formula: C19H25ClN6O4 MolecularWeight: 436.8926

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)[NH+]1NC(NN1)C2=CC(=CC=C2)Cl.CC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)[NH+]1NC(NN1)C2=CC(=CC=C2)Cl.CC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H18ClN5.C8H7NO4/c1-3-16(4-2)17-14-11(13-15-17)9-6-5-7-10(12)8-9;1-5-2-3-6(8(10)11)4-7(5)9(12)13/h5-8,11,13-15H,3-4H2,1-2H3;2-4H,1H3,(H,10,11)