(2R)-2-[(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)azaniumyl]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)ammonio]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)ammonio]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(2,2-dimethyl-1,3-dihydrobenz[f]isoquinolin-4-ylidene)ammonio]-4-(methylthio)butyrate Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+]C(CCSC)C(=O)[O-])N1)C

Isomeric SMILES

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+][C@H](CCSC)C(=O)[O-])N1)C

InChI

InChI=1S/C20H24N2O2S/c1-20(2)12-16-14-7-5-4-6-13(14)8-9-15(16)18(22-20)21-17(19(23)24)10-11-25-3/h4-9,17H,10-12H2,1-3H3,(H,21,22)(H,23,24)/t17-/m1/s1