(4-methoxy-3-nitro-phenyl)methyl-pentyl-azanium

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl-pentyl-azanium Openeye Name: (4-methoxy-3-nitro-phenyl)methyl-pentyl-ammonium CAS Name: (4-methoxy-3-nitrophenyl)methyl-pentylammonium IUPAC Name: (4-methoxy-3-nitrophenyl)methyl-pentylazanium Traditional Name: amyl-(4-methoxy-3-nitro-benzyl)ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH2+]CC1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC[NH2+]CC1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O3/c1-3-4-5-8-14-10-11-6-7-13(18-2)12(9-11)15(16)17/h6-7,9,14H,3-5,8,10H2,1-2H3/p+1