(2S)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-phenyl-propanoate Openeye Name: (2S)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-3-phenyl-propanoate CAS Name: (2S)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-3-phenylpropanoate IUPAC Name: (2S)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-phenylpropanoate Traditional Name: (2S)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-3-phenyl-propionate Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=[NH+]C(CC3=CC=CC=C3)C(=O)[O-])N1)OC)OC)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C(=[NH+][C@@H](CC3=CC=CC=C3)C(=O)[O-])N1)OC)OC)C

InChI

InChI=1S/C22H26N2O4/c1-22(2)13-15-11-18(27-3)19(28-4)12-16(15)20(24-22)23-17(21(25)26)10-14-8-6-5-7-9-14/h5-9,11-12,17H,10,13H2,1-4H3,(H,23,24)(H,25,26)/t17-/m0/s1