(2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]-3-phenyl-propionate Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)21-17(19(23)24)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,21,22)(H,23,24)/t17-/m1/s1