1-[(3E)-3-(1-azanyl-8-phenyl-octoxy)iminopropylidene]-4-(4-methoxyphenyl)-3-phenyl-azetidin-1-ium-2-one

Systemtic Name: 1-[(3E)-3-(1-azanyl-8-phenyl-octoxy)iminopropylidene]-4-(4-methoxyphenyl)-3-phenyl-azetidin-1-ium-2-one Openeye Name: 1-[(3E)-3-(1-amino-8-phenyl-octoxy)iminopropylidene]-4-(4-methoxyphenyl)-3-phenyl-azetidin-1-ium-2-one CAS Name: 1-[(3E)-3-(1-amino-8-phenyloctoxy)iminopropylidene]-4-(4-methoxyphenyl)-3-phenyl-2-azetidin-1-iumone IUPAC Name: 1-[(3E)-3-(1-amino-8-phenyloctoxy)iminopropylidene]-4-(4-methoxyphenyl)-3-phenylazetidin-1-ium-2-one Traditional Name: 1-[(3E)-3-(1-amino-8-phenyl-octyl)oximinopropylidene]-4-(4-methoxyphenyl)-3-phenyl-azetidin-1-ium-2-one Formula: C33H40N3O3+ MolecularWeight: 526.689

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)[N+]2=CCC=NOC(CCCCCCCC3=CC=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)[N+]2=CC/C=N/OC(CCCCCCCC3=CC=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C33H40N3O3/c1-38-29-22-20-28(21-23-29)32-31(27-17-10-6-11-18-27)33(37)36(32)25-13-24-35-39-30(34)19-12-4-2-3-7-14-26-15-8-5-9-16-26/h5-6,8-11,15-18,20-25,30-32H,2-4,7,12-14,19,34H2,1H3/q+1/b35-24+,36-25?