(2R)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2R)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-(1H-indol-3-yl)propanoate Openeye Name: (2R)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-3-(1H-indol-3-yl)propionate Formula: C24H27N3O4 MolecularWeight: 421.48888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=[NH+]C(CC3=CNC4=CC=CC=C43)C(=O)[O-])N1)OC)OC)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C(=[NH+][C@H](CC3=CNC4=CC=CC=C43)C(=O)[O-])N1)OC)OC)C

InChI

InChI=1S/C24H27N3O4/c1-24(2)12-14-10-20(30-3)21(31-4)11-17(14)22(27-24)26-19(23(28)29)9-15-13-25-18-8-6-5-7-16(15)18/h5-8,10-11,13,19,25H,9,12H2,1-4H3,(H,26,27)(H,28,29)/t19-/m1/s1