4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2,6-dimethyl-phenol

Systemtic Name: 4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2,6-dimethyl-phenol Openeye Name: 4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2,6-dimethyl-phenol CAS Name: 4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidin-1-iumyl]methyl]-2,6-dimethylphenol IUPAC Name: 4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2,6-dimethylphenol Traditional Name: 4-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2,6-dimethyl-phenol Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH+]2CCCC(C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH+]2CCC[C@@H](C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H30N2O/c1-17-12-19(13-18(2)23(17)26)14-24-10-5-8-22(16-24)25-11-9-20-6-3-4-7-21(20)15-25/h3-4,6-7,12-13,22,26H,5,8-11,14-16H2,1-2H3/p+1/t22-/m0/s1