1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-methyl-ammonium Formula: C25H24N3O2S+ MolecularWeight: 430.54196

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3C(COC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3[C@@H](COC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2S/c1-27(15-24-26-19-11-5-8-14-23(19)31-24)16-25(29)28-20-12-6-7-13-22(20)30-17-21(28)18-9-3-2-4-10-18/h2-14,21H,15-17H2,1H3/p+1/t21-/m0/s1