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

Systemtic Name: 3-azanyladamantane-1-carboxylic acid; 4-ethylbenzenesulfonic acid Openeye Name: 3-aminoadamantane-1-carboxylic acid; 4-ethylbenzenesulfonic acid CAS Name: 3-amino-1-adamantanecarboxylic acid; 4-ethylbenzenesulfonic acid IUPAC Name: 3-aminoadamantane-1-carboxylic acid; 4-ethylbenzenesulfonic acid Traditional Name: 3-aminoadamantane-1-carboxylic acid; 4-ethylbesylic acid Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)O.C1C2CC3(CC1CC(C2)(C3)N)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)O.C1C2CC3(CC1CC(C2)(C3)N)C(=O)O

InChI

InChI=1S/C11H17NO2.C8H10O3S/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14;1-2-7-3-5-8(6-4-7)12(9,10)11/h7-8H,1-6,12H2,(H,13,14);3-6H,2H2,1H3,(H,9,10,11)