2,2-dimethyl-1,2-thiaziridin-2-ium-3-one; methyl 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoate

Systemtic Name: 2,2-dimethyl-1,2-thiaziridin-2-ium-3-one; methyl 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoate Openeye Name: 2,2-dimethylthiaziridin-2-ium-3-one; methyl 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoate CAS Name: 2,2-dimethyl-3-thiaziridin-2-iumone; 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoic acid methyl ester IUPAC Name: 2,2-dimethylthiaziridin-2-ium-3-one; methyl 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoate Traditional Name: 2,2-dimethylthiaziridin-2-ium-3-one; 4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoic acid methyl ester Formula: C25H27N2O3S+ MolecularWeight: 435.55848

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)S1)C.COC(=O)C1=CC=C(C=C1)N2C3=C(CCCC3)C=C2C4=CC=CC=C4

Isomeric SMILES

C[N+]1(C(=O)S1)C.COC(=O)C1=CC=C(C=C1)N2C3=C(CCCC3)C=C2C4=CC=CC=C4

InChI

InChI=1S/C22H21NO2.C3H6NOS/c1-25-22(24)17-11-13-19(14-12-17)23-20-10-6-5-9-18(20)15-21(23)16-7-3-2-4-8-16;1-4(2)3(5)6-4/h2-4,7-8,11-15H,5-6,9-10H2,1H3;1-2H3/q;+1