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

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl-(3-methylbutyl)azanium Openeye Name: isopentyl-[(4-methoxy-3-nitro-phenyl)methyl]ammonium CAS Name: (4-methoxy-3-nitrophenyl)methyl-(3-methylbutyl)ammonium IUPAC Name: (4-methoxy-3-nitrophenyl)methyl-(3-methylbutyl)azanium Traditional Name: isoamyl-(4-methoxy-3-nitro-benzyl)ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-10(2)6-7-14-9-11-4-5-13(18-3)12(8-11)15(16)17/h4-5,8,10,14H,6-7,9H2,1-3H3/p+1