(2S)-2-[(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)azaniumyl]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)azaniumyl]-3-phenyl-propanoate Openeye Name: (2S)-2-[(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)ammonio]-3-phenyl-propanoate CAS Name: (2S)-2-[(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)ammonio]-3-phenylpropanoate IUPAC Name: (2S)-2-[(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)azaniumyl]-3-phenylpropanoate Traditional Name: (2S)-2-[(2,2-dimethyl-1,3-dihydrobenz[f]isoquinolin-4-ylidene)ammonio]-3-phenyl-propionate Formula: C24H24N2O2 MolecularWeight: 372.45956

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+]C(CC4=CC=CC=C4)C(=O)[O-])N1)C

Isomeric SMILES

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+][C@@H](CC4=CC=CC=C4)C(=O)[O-])N1)C

InChI

InChI=1S/C24H24N2O2/c1-24(2)15-20-18-11-7-6-10-17(18)12-13-19(20)22(26-24)25-21(23(27)28)14-16-8-4-3-5-9-16/h3-13,21H,14-15H2,1-2H3,(H,25,26)(H,27,28)/t21-/m0/s1