3-azanyladamantane-1-carboxylic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 3-azanyladamantane-1-carboxylic acid; 4-methylbenzenesulfonic acid Openeye Name: 3-aminoadamantane-1-carboxylic acid; 4-methylbenzenesulfonic acid CAS Name: 3-amino-1-adamantanecarboxylic acid; 4-methylbenzenesulfonic acid IUPAC Name: 3-aminoadamantane-1-carboxylic acid; 4-methylbenzenesulfonic acid Traditional Name: 3-aminoadamantane-1-carboxylic acid; tosylic acid Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C2CC3(CC1CC(C2)(C3)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C2CC3(CC1CC(C2)(C3)N)C(=O)O

InChI

InChI=1S/C11H17NO2.C7H8O3S/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,1-6,12H2,(H,13,14);2-5H,1H3,(H,8,9,10)