dicyclohexylazanium; 1-(2-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylate

Systemtic Name: dicyclohexylazanium; 1-(2-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylate Openeye Name: dicyclohexylammonium; 1-(2-sulfanylpropanoyl)indoline-2-carboxylate CAS Name: dicyclohexylammonium; 1-(2-mercapto-1-oxopropyl)-2,3-dihydroindole-2-carboxylate IUPAC Name: dicyclohexylazanium; 1-(2-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylate Traditional Name: dicyclohexylammonium; 1-(2-mercaptopropanoyl)indoline-2-carboxylate Formula: C24H36N2O3S MolecularWeight: 432.61924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CC2=CC=CC=C21)C(=O)[O-])S.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(C(=O)N1C(CC2=CC=CC=C21)C(=O)[O-])S.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H13NO3S.C12H23N/c1-7(17)11(14)13-9-5-3-2-4-8(9)6-10(13)12(15)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-5,7,10,17H,6H2,1H3,(H,15,16);11-13H,1-10H2