cyclohexylazanium; 1-(3,4-dihydro-1H-isochromen-1-ylcarbonyl)pyrrolidine-2-carboxylic acid

Systemtic Name: cyclohexylazanium; 1-(3,4-dihydro-1H-isochromen-1-ylcarbonyl)pyrrolidine-2-carboxylic acid Openeye Name: cyclohexylammonium; 1-(isochromane-1-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: cyclohexylammonium; 1-[3,4-dihydro-1H-2-benzopyran-1-yl(oxo)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: cyclohexylazanium; 1-(3,4-dihydro-1H-isochromene-1-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: cyclohexylammonium; 1-(isochroman-1-carbonyl)proline Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH3+].C1CC(N(C1)C(=O)C2C3=CC=CC=C3CCO2)C(=O)O

Isomeric SMILES

C1CCC(CC1)[NH3+].C1CC(N(C1)C(=O)C2C3=CC=CC=C3CCO2)C(=O)O

InChI

InChI=1S/C15H17NO4.C6H13N/c17-14(16-8-3-6-12(16)15(18)19)13-11-5-2-1-4-10(11)7-9-20-13;7-6-4-2-1-3-5-6/h1-2,4-5,12-13H,3,6-9H2,(H,18,19);6H,1-5,7H2/p+1