2-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]phenol Formula: C21H27N2O+ MolecularWeight: 323.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H26N2O/c24-21-10-4-3-8-19(21)14-22-12-5-9-20(16-22)23-13-11-17-6-1-2-7-18(17)15-23/h1-4,6-8,10,20,24H,5,9,11-16H2/p+1/t20-/m0/s1