4-azanyl-3-chloranyl-benzene-1,2-diol; tert-butyl 4-(2-bromophenyl)sulfonyl-1-methyl-piperidin-1-ium-1-carboxylate

Systemtic Name: 4-azanyl-3-chloranyl-benzene-1,2-diol; tert-butyl 4-(2-bromophenyl)sulfonyl-1-methyl-piperidin-1-ium-1-carboxylate Openeye Name: 4-amino-3-chloro-benzene-1,2-diol; tert-butyl 4-(2-bromophenyl)sulfonyl-1-methyl-piperidin-1-ium-1-carboxylate CAS Name: 4-amino-3-chlorobenzene-1,2-diol; 4-(2-bromophenyl)sulfonyl-1-methyl-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: 4-amino-3-chlorobenzene-1,2-diol; tert-butyl 4-(2-bromophenyl)sulfonyl-1-methylpiperidin-1-ium-1-carboxylate Traditional Name: 4-amino-3-chloro-pyrocatechol; 4-(2-bromophenyl)sulfonyl-1-methyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C23H31BrClN2O6S+ MolecularWeight: 578.92404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)S(=O)(=O)C2=CC=CC=C2Br)C.C1=CC(=C(C(=C1N)Cl)O)O

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)S(=O)(=O)C2=CC=CC=C2Br)C.C1=CC(=C(C(=C1N)Cl)O)O

InChI

InChI=1S/C17H25BrNO4S.C6H6ClNO2/c1-17(2,3)23-16(20)19(4)11-9-13(10-12-19)24(21,22)15-8-6-5-7-14(15)18;7-5-3(8)1-2-4(9)6(5)10/h5-8,13H,9-12H2,1-4H3;1-2,9-10H,8H2/q+1;