[3-azanyl-2-nitro-4-(2-oxidanylpropyl)phenyl]-dimethyl-oxidanyl-azanium

Systemtic Name: [3-azanyl-2-nitro-4-(2-oxidanylpropyl)phenyl]-dimethyl-oxidanyl-azanium Openeye Name: [3-amino-4-(2-hydroxypropyl)-2-nitro-phenyl]-hydroxy-dimethyl-ammonium CAS Name: [3-amino-4-(2-hydroxypropyl)-2-nitrophenyl]-hydroxy-dimethylammonium IUPAC Name: [3-amino-4-(2-hydroxypropyl)-2-nitrophenyl]-hydroxy-dimethylazanium Traditional Name: [3-amino-4-(2-hydroxypropyl)-2-nitro-phenyl]-hydroxy-dimethyl-ammonium Formula: C11H18N3O4+ MolecularWeight: 256.27832

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C(=C(C=C1)[N+](C)(C)O)[N+](=O)[O-])N)O

Isomeric SMILES

CC(CC1=C(C(=C(C=C1)[N+](C)(C)O)[N+](=O)[O-])N)O

InChI

InChI=1S/C11H18N3O4/c1-7(15)6-8-4-5-9(14(2,3)18)11(10(8)12)13(16)17/h4-5,7,15,18H,6,12H2,1-3H3/q+1