(4-acetyloxy-3-phenethyl-phenyl) ethanoate; azanylidyneazanium

Systemtic Name: (4-acetyloxy-3-phenethyl-phenyl) ethanoate; azanylidyneazanium Openeye Name: (4-acetoxy-3-phenethyl-phenyl) acetate; nitridoammonium CAS Name: acetic acid (4-acetyloxy-3-phenethylphenyl) ester; nitriloammonium IUPAC Name: (4-acetyloxy-3-phenethylphenyl) acetate; azanylidyneazanium Traditional Name: acetic acid (4-acetoxy-3-phenethyl-phenyl) ester; nitriloammonium Formula: C18H19N2O4+ MolecularWeight: 327.35446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)OC(=O)C)CCC2=CC=CC=C2.[NH+]#N

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)OC(=O)C)CCC2=CC=CC=C2.[NH+]#N

InChI

InChI=1S/C18H18O4.N2/c1-13(19)21-17-10-11-18(22-14(2)20)16(12-17)9-8-15-6-4-3-5-7-15;1-2/h3-7,10-12H,8-9H2,1-2H3;/p+1