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

Systemtic Name: 1-[2-[3-chloranyl-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepin-4-ylidene]ethyl]piperidin-1-ium Openeye Name: 1-[2-[3-chloro-5-phenyl-2-(p-tolyl)-5H-1-benzoxepin-4-ylidene]ethyl]piperidin-1-ium CAS Name: 1-[2-[3-chloro-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepin-4-ylidene]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[3-chloro-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepin-4-ylidene]ethyl]piperidin-1-ium Traditional Name: 1-[2-[3-chloro-5-phenyl-2-(p-tolyl)-5H-1-benzoxepin-4-ylidene]ethyl]piperidin-1-ium Formula: C30H31ClNO+ MolecularWeight: 457.02624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CC[NH+]3CCCCC3)C(C4=CC=CC=C4O2)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CC[NH+]3CCCCC3)C(C4=CC=CC=C4O2)C5=CC=CC=C5)Cl

InChI

InChI=1S/C30H30ClNO/c1-22-14-16-24(17-15-22)30-29(31)26(18-21-32-19-8-3-9-20-32)28(23-10-4-2-5-11-23)25-12-6-7-13-27(25)33-30/h2,4-7,10-18,28H,3,8-9,19-21H2,1H3/p+1