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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)N3CCC4=CC=CC=C4C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)N3CCC4=CC=CC=C4C3)O

InChI

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