3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-thenyl)piperidin-1-ium-4-yl]methanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CS4

InChI

InChI=1S/C20H24N2OS/c23-20(22-12-9-16-4-1-2-5-18(16)14-22)17-7-10-21(11-8-17)15-19-6-3-13-24-19/h1-6,13,17H,7-12,14-15H2/p+1