2-[3-chloranyl-5-(4-fluorophenyl)-2-(4-methylphenyl)-5H-1-benzoxepin-4-ylidene]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-chloranyl-5-(4-fluorophenyl)-2-(4-methylphenyl)-5H-1-benzoxepin-4-ylidene]ethyl-dimethyl-azanium Openeye Name: 2-[3-chloro-5-(4-fluorophenyl)-2-(p-tolyl)-5H-1-benzoxepin-4-ylidene]ethyl-dimethyl-ammonium CAS Name: 2-[3-chloro-5-(4-fluorophenyl)-2-(4-methylphenyl)-5H-1-benzoxepin-4-ylidene]ethyl-dimethylammonium IUPAC Name: 2-[3-chloro-5-(4-fluorophenyl)-2-(4-methylphenyl)-5H-1-benzoxepin-4-ylidene]ethyl-dimethylazanium Traditional Name: 2-[3-chloro-5-(4-fluorophenyl)-2-(p-tolyl)-5H-1-benzoxepin-4-ylidene]ethyl-dimethyl-ammonium Formula: C27H26ClFNO+ MolecularWeight: 434.952843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CC[NH+](C)C)C(C3=CC=CC=C3O2)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CC[NH+](C)C)C(C3=CC=CC=C3O2)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C27H25ClFNO/c1-18-8-10-20(11-9-18)27-26(28)23(16-17-30(2)3)25(19-12-14-21(29)15-13-19)22-6-4-5-7-24(22)31-27/h4-16,25H,17H2,1-3H3/p+1