2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-7-methoxy-isoquinolin-2-ium-6-ol

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-7-methoxy-isoquinolin-2-ium-6-ol Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-7-methoxy-isoquinolin-2-ium-6-ol CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-7-methoxy-6-isoquinolin-2-iumol IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-7-methoxyisoquinolin-2-ium-6-ol Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-7-methoxy-isoquinolin-2-ium-6-ol Formula: C19H15ClNO2S+ MolecularWeight: 356.8459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C[N+](=CC2=C1)CC3=C(C4=CC=CC=C4S3)Cl)O

Isomeric SMILES

COC1=C(C=C2C=C[N+](=CC2=C1)CC3=C(C4=CC=CC=C4S3)Cl)O

InChI

InChI=1S/C19H14ClNO2S/c1-23-16-9-13-10-21(7-6-12(13)8-15(16)22)11-18-19(20)14-4-2-3-5-17(14)24-18/h2-10H,11H2,1H3/p+1