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

Systemtic Name: 2-[4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Openeye Name: 2-[4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol CAS Name: 2-[4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidin-1-iumyl]methyl]phenoxy]ethanol IUPAC Name: 2-[4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Traditional Name: 2-[4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]phenoxy]ethanol Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)OCCO)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)OCCO)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H30N2O2/c26-14-15-27-23-9-7-19(8-10-23)16-24-12-3-6-22(18-24)25-13-11-20-4-1-2-5-21(20)17-25/h1-2,4-5,7-10,22,26H,3,6,11-18H2/p+1/t22-/m0/s1