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

Systemtic Name: 2-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-6-ethoxy-phenol Openeye Name: 2-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-6-ethoxy-phenol CAS Name: 2-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidin-1-iumyl]methyl]-6-ethoxyphenol IUPAC Name: 2-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-6-ethoxyphenol Traditional Name: 2-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-6-ethoxy-phenol Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCCC(C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC[C@@H](C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H30N2O2/c1-2-27-22-11-5-9-20(23(22)26)15-24-13-6-10-21(17-24)25-14-12-18-7-3-4-8-19(18)16-25/h3-5,7-9,11,21,26H,2,6,10,12-17H2,1H3/p+1/t21-/m0/s1