(3-ethoxy-2-phenylmethoxy-phenyl)methyl-[2-[(4-nitrophenyl)amino]ethyl]azanium

Systemtic Name: (3-ethoxy-2-phenylmethoxy-phenyl)methyl-[2-[(4-nitrophenyl)amino]ethyl]azanium Openeye Name: (2-benzyloxy-3-ethoxy-phenyl)methyl-[2-(4-nitroanilino)ethyl]ammonium CAS Name: (3-ethoxy-2-phenylmethoxyphenyl)methyl-[2-(4-nitroanilino)ethyl]ammonium IUPAC Name: (3-ethoxy-2-phenylmethoxyphenyl)methyl-[2-(4-nitroanilino)ethyl]azanium Traditional Name: (2-benzoxy-3-ethoxy-benzyl)-[2-(4-nitroanilino)ethyl]ammonium Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O4/c1-2-30-23-10-6-9-20(24(23)31-18-19-7-4-3-5-8-19)17-25-15-16-26-21-11-13-22(14-12-21)27(28)29/h3-14,25-26H,2,15-18H2,1H3/p+1