butyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-(phenylmethyl)azanium

Systemtic Name: butyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-butyl-[(4,5-dimethoxy-2-nitro-phenyl)methyl]ammonium CAS Name: butyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[(4,5-dimethoxy-2-nitrophenyl)methyl]azanium Traditional Name: benzyl-butyl-(4,5-dimethoxy-2-nitro-benzyl)ammonium Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H26N2O4/c1-4-5-11-21(14-16-9-7-6-8-10-16)15-17-12-19(25-2)20(26-3)13-18(17)22(23)24/h6-10,12-13H,4-5,11,14-15H2,1-3H3/p+1