2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanyl-N-[(4-methoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanyl-N-[(4-methoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanyl-N-[(4-methoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[1-(diphenylmethyl)-3-azetidin-1-iumyl]thio]-N-[(4-methoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[(1-benzhydrylazetidin-1-ium-3-yl)thio]-N-(p-anisylideneamino)acetamide Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NNC(=O)CSC2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C=NNC(=O)CSC2C[NH+](C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-31-23-14-12-20(13-15-23)16-27-28-25(30)19-32-24-17-29(18-24)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-16,24,26H,17-19H2,1H3,(H,28,30)/p+1