N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(diphenylmethyl)azetidin-1-ium-3-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(diphenylmethyl)azetidin-1-ium-3-carboxamide Openeye Name: 1-benzhydryl-N-(6-chloro-1,3-benzothiazol-2-yl)azetidin-1-ium-3-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(diphenylmethyl)-3-azetidin-1-iumcarboxamide IUPAC Name: 1-benzhydryl-N-(6-chloro-1,3-benzothiazol-2-yl)azetidin-1-ium-3-carboxamide Traditional Name: 1-benzhydryl-N-(6-chloro-1,3-benzothiazol-2-yl)azetidin-1-ium-3-carboxamide Formula: C24H21ClN3OS+ MolecularWeight: 434.96104

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

C1C(C[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C24H20ClN3OS/c25-19-11-12-20-21(13-19)30-24(26-20)27-23(29)18-14-28(15-18)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,18,22H,14-15H2,(H,26,27,29)/p+1