(3-methoxy-4-phenethyloxy-phenyl)methyl-[2-[(4-nitrophenyl)amino]ethyl]azanium

Systemtic Name: (3-methoxy-4-phenethyloxy-phenyl)methyl-[2-[(4-nitrophenyl)amino]ethyl]azanium Openeye Name: (3-methoxy-4-phenethyloxy-phenyl)methyl-[2-(4-nitroanilino)ethyl]ammonium CAS Name: (3-methoxy-4-phenethyloxyphenyl)methyl-[2-(4-nitroanilino)ethyl]ammonium IUPAC Name: (3-methoxy-4-phenethyloxyphenyl)methyl-[2-(4-nitroanilino)ethyl]azanium Traditional Name: (3-methoxy-4-phenethyloxy-benzyl)-[2-(4-nitroanilino)ethyl]ammonium Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCNC2=CC=C(C=C2)[N+](=O)[O-])OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCNC2=CC=C(C=C2)[N+](=O)[O-])OCCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4/c1-30-24-17-20(7-12-23(24)31-16-13-19-5-3-2-4-6-19)18-25-14-15-26-21-8-10-22(11-9-21)27(28)29/h2-12,17,25-26H,13-16,18H2,1H3/p+1