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

Systemtic Name: [(2Z)-2-[(5S)-3-chloranyl-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepin-4-ylidene]ethyl]-dimethyl-azanium Openeye Name: [(2Z)-2-[(5S)-3-chloro-5-phenyl-2-(p-tolyl)-5H-1-benzoxepin-4-ylidene]ethyl]-dimethyl-ammonium CAS Name: [(2Z)-2-[(5S)-3-chloro-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepin-4-ylidene]ethyl]-dimethylammonium IUPAC Name: [(2Z)-2-[(5S)-3-chloro-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepin-4-ylidene]ethyl]-dimethylazanium Traditional Name: [(2Z)-2-[(5S)-3-chloro-5-phenyl-2-(p-tolyl)-5H-1-benzoxepin-4-ylidene]ethyl]-dimethyl-ammonium Formula: C27H27ClNO+ MolecularWeight: 416.96238

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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=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(/C(=C\C[NH+](C)C)/[C@H](C3=CC=CC=C3O2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H26ClNO/c1-19-13-15-21(16-14-19)27-26(28)23(17-18-29(2)3)25(20-9-5-4-6-10-20)22-11-7-8-12-24(22)30-27/h4-17,25H,18H2,1-3H3/p+1/b23-17-/t25-/m0/s1