dicyclohexylazanium; 1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylate

Systemtic Name: dicyclohexylazanium; 1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylate Openeye Name: dicyclohexylammonium; 1-(2-methyl-3-sulfanyl-propanoyl)indoline-2-carboxylate CAS Name: dicyclohexylammonium; 1-(3-mercapto-2-methyl-1-oxopropyl)-2,3-dihydroindole-2-carboxylate IUPAC Name: dicyclohexylazanium; 1-(2-methyl-3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylate Traditional Name: dicyclohexylammonium; 1-(3-mercapto-2-methyl-propanoyl)indoline-2-carboxylate Formula: C25H38N2O3S MolecularWeight: 446.64582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3S.C12H23N/c1-8(7-18)12(15)14-10-5-3-2-4-9(10)6-11(14)13(16)17;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-5,8,11,18H,6-7H2,1H3,(H,16,17);11-13H,1-10H2