8-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]isoquinolin-7-ol

Systemtic Name: 8-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]isoquinolin-7-ol Openeye Name: 8-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]isoquinolin-7-ol CAS Name: 8-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-7-isoquinolinol IUPAC Name: 8-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]isoquinolin-7-ol Traditional Name: 8-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]isoquinolin-7-ol Formula: C18H19N2OS+ MolecularWeight: 311.42126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=CC3=C2C=NC=C3)O)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=C(C=CC3=C2C=NC=C3)O)C4=CC=CS4

InChI

InChI=1S/C18H18N2OS/c21-17-6-5-13-7-8-19-11-14(13)15(17)12-20-9-1-3-16(20)18-4-2-10-22-18/h2,4-8,10-11,16,21H,1,3,9,12H2/p+1/t16-/m0/s1