2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C20H26N3+ MolecularWeight: 308.44054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCC3=CC=CC=C3C2)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CCC3=CC=CC=C3C2)CC4=CN=CC=C4

InChI

InChI=1S/C20H25N3/c1-2-6-19-16-23(13-7-18(19)5-1)20-8-11-22(12-9-20)15-17-4-3-10-21-14-17/h1-6,10,14,20H,7-9,11-13,15-16H2/p+1