[(1S)-2-[(3-fluorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium

Systemtic Name: [(1S)-2-[(3-fluorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Openeye Name: [(1S)-2-[(3-fluorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium CAS Name: [(1S)-2-[(3-fluoroanilino)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium IUPAC Name: [(1S)-2-[(3-fluorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylazanium Traditional Name: [(1S)-2-[(3-fluorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methylammonium Formula: C19H23FN3O3+ MolecularWeight: 360.402623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC(=CC=C3)F)C[NH3+])OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)NC3=CC(=CC=C3)F)C[NH3+])OC

InChI

InChI=1S/C19H22FN3O3/c1-25-17-8-12-6-7-23(16(11-21)15(12)10-18(17)26-2)19(24)22-14-5-3-4-13(20)9-14/h3-5,8-10,16H,6-7,11,21H2,1-2H3,(H,22,24)/p+1/t16-/m1/s1