N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-bromanyl-thiophene-2-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-bromanyl-thiophene-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-bromo-thiophene-2-carboxamide; 4-methylbenzenesulfonic acid CAS Name: N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-bromo-2-thiophenecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-bromothiophene-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-(1-azabicyclo[3.2.2]nonan-3-yl)-5-bromo-thiophene-2-carboxamide; tosylic acid Formula: C20H25BrN2O4S2 MolecularWeight: 501.4575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1CC(C2)NC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1CC(C2)NC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C13H17BrN2OS.C7H8O3S/c14-12-2-1-11(18-12)13(17)15-10-7-9-3-5-16(8-10)6-4-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,9-10H,3-8H2,(H,15,17);2-5H,1H3,(H,8,9,10)