cyclohexylazanium; 3,4-dihydro-1H-isochromene; methanal; pyrrolidine-2-carboxylic acid

Systemtic Name: cyclohexylazanium; 3,4-dihydro-1H-isochromene; methanal; pyrrolidine-2-carboxylic acid Openeye Name: cyclohexylammonium; formaldehyde; isochromane; pyrrolidine-2-carboxylic acid CAS Name: cyclohexylammonium; 3,4-dihydro-1H-2-benzopyran; formaldehyde; 2-pyrrolidinecarboxylic acid IUPAC Name: cyclohexylazanium; 3,4-dihydro-1H-isochromene; formaldehyde; pyrrolidine-2-carboxylic acid Traditional Name: cyclohexylammonium; formaldehyde; isochroman; proline Formula: C21H35N2O4+ MolecularWeight: 379.5136

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1CCC(CC1)[NH3+].C1CC(NC1)C(=O)O.C1COCC2=CC=CC=C21

Isomeric SMILES

C=O.C1CCC(CC1)[NH3+].C1CC(NC1)C(=O)O.C1COCC2=CC=CC=C21

InChI

InChI=1S/C9H10O.C6H13N.C5H9NO2.CH2O/c1-2-4-9-7-10-6-5-8(9)3-1;7-6-4-2-1-3-5-6;7-5(8)4-2-1-3-6-4;1-2/h1-4H,5-7H2;6H,1-5,7H2;4,6H,1-3H2,(H,7,8);1H2/p+1