(Z)-4-[2-(4-acetamidophenyl)ethyl]-1-methoxy-1-oxidanyl-3-oxidanylidene-hept-1-ene-2-diazonium

Systemtic Name: (Z)-4-[2-(4-acetamidophenyl)ethyl]-1-methoxy-1-oxidanyl-3-oxidanylidene-hept-1-ene-2-diazonium Openeye Name: (Z)-4-[2-(4-acetamidophenyl)ethyl]-1-hydroxy-1-methoxy-3-oxo-hept-1-ene-2-diazonium CAS Name: (Z)-4-[2-(4-acetamidophenyl)ethyl]-1-hydroxy-1-methoxy-3-oxo-1-heptene-2-diazonium IUPAC Name: (Z)-4-[2-(4-acetamidophenyl)ethyl]-1-hydroxy-1-methoxy-3-oxohept-1-ene-2-diazonium Traditional Name: (Z)-4-[2-(4-acetamidophenyl)ethyl]-1-hydroxy-3-keto-1-methoxy-hept-1-ene-2-diazonium Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=CC=C(C=C1)NC(=O)C)C(=O)C(=C(O)OC)[N+]#N

Isomeric SMILES

CCCC(CCC1=CC=C(C=C1)NC(=O)C)C(=O)/C(=C(\O)/OC)/[N+]#N

InChI

InChI=1S/C18H23N3O4/c1-4-5-14(17(23)16(21-19)18(24)25-3)9-6-13-7-10-15(11-8-13)20-12(2)22/h7-8,10-11,14H,4-6,9H2,1-3H3,(H-,20,22,23,24)/p+1