2-(5-methyl-2-nitro-phenoxy)ethyl-propyl-azanium

Systemtic Name: 2-(5-methyl-2-nitro-phenoxy)ethyl-propyl-azanium Openeye Name: 2-(5-methyl-2-nitro-phenoxy)ethyl-propyl-ammonium CAS Name: 2-(5-methyl-2-nitrophenoxy)ethyl-propylammonium IUPAC Name: 2-(5-methyl-2-nitrophenoxy)ethyl-propylazanium Traditional Name: 2-(5-methyl-2-nitro-phenoxy)ethyl-propyl-ammonium Formula: C12H19N2O3+ MolecularWeight: 239.29086

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CCOC1=C(C=CC(=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCC[NH2+]CCOC1=C(C=CC(=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O3/c1-3-6-13-7-8-17-12-9-10(2)4-5-11(12)14(15)16/h4-5,9,13H,3,6-8H2,1-2H3/p+1