methyl-(3-nitro-4-piperidin-1-yl-phenyl)azanium

Systemtic Name: methyl-(3-nitro-4-piperidin-1-yl-phenyl)azanium Openeye Name: methyl-[3-nitro-4-(1-piperidyl)phenyl]ammonium CAS Name: methyl-[3-nitro-4-(1-piperidinyl)phenyl]ammonium IUPAC Name: methyl-(3-nitro-4-piperidin-1-ylphenyl)azanium Traditional Name: methyl-(3-nitro-4-piperidino-phenyl)ammonium Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

C[NH2+]C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O2/c1-13-10-5-6-11(12(9-10)15(16)17)14-7-3-2-4-8-14/h5-6,9,13H,2-4,7-8H2,1H3/p+1