(4,5-dimethoxy-2-nitro-phenyl)methyl-(2-hydroxyethyl)-(phenylmethyl)azanium

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-(2-hydroxyethyl)ammonium CAS Name: (4,5-dimethoxy-2-nitrophenyl)methyl-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]-(2-hydroxyethyl)azanium Traditional Name: benzyl-(4,5-dimethoxy-2-nitro-benzyl)-(2-hydroxyethyl)ammonium Formula: C18H23N2O5+ MolecularWeight: 347.38562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+](CCO)CC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+](CCO)CC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H22N2O5/c1-24-17-10-15(16(20(22)23)11-18(17)25-2)13-19(8-9-21)12-14-6-4-3-5-7-14/h3-7,10-11,21H,8-9,12-13H2,1-2H3/p+1