4-[6-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-thiopyran-2-yl]aniline chloride

Systemtic Name: 4-[6-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-thiopyran-2-yl]aniline chloride Openeye Name: 4-[6-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-thiopyran-2-yl]aniline chloride CAS Name: 4-[6-[4-(4-morpholin-4-iumylidene)-1-cyclohexa-2,5-dienylidene]-4-phenyl-2-thiopyranyl]aniline chloride IUPAC Name: 4-[6-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)-4-phenylthiopyran-2-yl]aniline chloride Traditional Name: [4-[6-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-thiopyran-2-yl]phenyl]amine chloride Formula: C27H25ClN2OS MolecularWeight: 461.0182

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1=C2C=CC(=C3C=C(C=C(S3)C4=CC=C(C=C4)N)C5=CC=CC=C5)C=C2.[Cl-]

Isomeric SMILES

C1COCC[N+]1=C2C=CC(=C3C=C(C=C(S3)C4=CC=C(C=C4)N)C5=CC=CC=C5)C=C2.[Cl-]

InChI

InChI=1S/C27H24N2OS.ClH/c28-24-10-6-21(7-11-24)26-18-23(20-4-2-1-3-5-20)19-27(31-26)22-8-12-25(13-9-22)29-14-16-30-17-15-29;/h1-13,18-19,28H,14-17H2;1H