dicyclohexylazanium; 1-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxylic acid

Systemtic Name: dicyclohexylazanium; 1-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxylic acid Openeye Name: dicyclohexylammonium; 1-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxylic acid CAS Name: dicyclohexylammonium; 1-[(2-nitrophenyl)thio]-2-pyrrolidinecarboxylic acid IUPAC Name: dicyclohexylazanium; 1-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxylic acid Traditional Name: dicyclohexylammonium; 1-[(2-nitrophenyl)thio]proline Formula: C23H36N3O4S+ MolecularWeight: 450.61464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1CC(N(C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1CC(N(C1)SC2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H23N.C11H12N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;14-11(15)9-5-3-7-12(9)18-10-6-2-1-4-8(10)13(16)17/h11-13H,1-10H2;1-2,4,6,9H,3,5,7H2,(H,14,15)/p+1