4-chloranyl-2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]aniline

Systemtic Name: 4-chloranyl-2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]aniline Openeye Name: 4-chloro-2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]aniline CAS Name: 4-chloro-2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]aniline IUPAC Name: 4-chloro-2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]aniline Traditional Name: [4-chloro-2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenyl]amine Formula: C17H20ClN2O2+ MolecularWeight: 319.8059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=C(C=CC(=C3)Cl)N)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=C(C=CC(=C3)Cl)N)OC

InChI

InChI=1S/C17H19ClN2O2/c1-21-15-7-10-5-6-20-17(12(10)9-16(15)22-2)13-8-11(18)3-4-14(13)19/h3-4,7-9,17,20H,5-6,19H2,1-2H3/p+1/t17-/m0/s1