3-[(4-methoxy-2-nitro-phenyl)carbamoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-methoxy-2-nitro-phenyl)carbamoylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxy-2-nitro-phenyl)carbamoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-methoxy-2-nitroanilino)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-2-nitrophenyl)carbamoylamino]propyl-dimethylazanium Traditional Name: 3-[(4-methoxy-2-nitro-phenyl)carbamoylamino]propyl-dimethyl-ammonium Formula: C13H21N4O4+ MolecularWeight: 297.33024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O4/c1-16(2)8-4-7-14-13(18)15-11-6-5-10(21-3)9-12(11)17(19)20/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15,18)/p+1