[3-(2-carboxyethylsulfanyl)-1,1-diethyl-7-oxidanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium

Systemtic Name: [3-(2-carboxyethylsulfanyl)-1,1-diethyl-7-oxidanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium Openeye Name: [3-(2-carboxyethylsulfanyl)-1,1-diethyl-7-hydroxy-tetralin-2-yl]ammonium CAS Name: [3-(2-carboxyethylthio)-1,1-diethyl-7-hydroxy-3,4-dihydro-2H-naphthalen-2-yl]ammonium IUPAC Name: [3-(2-carboxyethylsulfanyl)-1,1-diethyl-7-hydroxy-3,4-dihydro-2H-naphthalen-2-yl]azanium Traditional Name: [3-(2-carboxyethylthio)-1,1-diethyl-7-hydroxy-tetralin-2-yl]ammonium Formula: C17H26NO3S+ MolecularWeight: 324.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CC2=C1C=C(C=C2)O)SCCC(=O)O)[NH3+])CC

Isomeric SMILES

CCC1(C(C(CC2=C1C=C(C=C2)O)SCCC(=O)O)[NH3+])CC

InChI

InChI=1S/C17H25NO3S/c1-3-17(4-2)13-10-12(19)6-5-11(13)9-14(16(17)18)22-8-7-15(20)21/h5-6,10,14,16,19H,3-4,7-9,18H2,1-2H3,(H,20,21)/p+1