4-[2-[3-chloranyl-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepin-4-ylidene]ethyl]morpholin-4-ium

Systemtic Name: 4-[2-[3-chloranyl-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepin-4-ylidene]ethyl]morpholin-4-ium Openeye Name: 4-[2-[3-chloro-5-phenyl-2-(p-tolyl)-5H-1-benzoxepin-4-ylidene]ethyl]morpholin-4-ium CAS Name: 4-[2-[3-chloro-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepin-4-ylidene]ethyl]morpholin-4-ium IUPAC Name: 4-[2-[3-chloro-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepin-4-ylidene]ethyl]morpholin-4-ium Traditional Name: 4-[2-[3-chloro-5-phenyl-2-(p-tolyl)-5H-1-benzoxepin-4-ylidene]ethyl]morpholin-4-ium Formula: C29H29ClNO2+ MolecularWeight: 458.99906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CC[NH+]3CCOCC3)C(C4=CC=CC=C4O2)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CC[NH+]3CCOCC3)C(C4=CC=CC=C4O2)C5=CC=CC=C5)Cl

InChI

InChI=1S/C29H28ClNO2/c1-21-11-13-23(14-12-21)29-28(30)25(15-16-31-17-19-32-20-18-31)27(22-7-3-2-4-8-22)24-9-5-6-10-26(24)33-29/h2-15,27H,16-20H2,1H3/p+1