3-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol

Systemtic Name: 3-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol Openeye Name: 3-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol CAS Name: 3-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidin-1-iumyl]-2,2-dimethyl-1-propanol IUPAC Name: 3-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]-2,2-dimethylpropan-1-ol Traditional Name: 3-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol Formula: C19H31N2O+ MolecularWeight: 303.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCCC(C1)N2CCC3=CC=CC=C3C2)CO

Isomeric SMILES

CC(C)(C[NH+]1CCC[C@@H](C1)N2CCC3=CC=CC=C3C2)CO

InChI

InChI=1S/C19H30N2O/c1-19(2,15-22)14-20-10-5-8-18(13-20)21-11-9-16-6-3-4-7-17(16)12-21/h3-4,6-7,18,22H,5,8-15H2,1-2H3/p+1/t18-/m0/s1