5-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: 5-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidin-1-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-[[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)N3CCC4=CC=CC=C4C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)N3CCC4=CC=CC=C4C3)O

InChI

InChI=1S/C22H28N2O2/c1-26-22-9-8-17(13-21(22)25)14-23-11-4-7-20(16-23)24-12-10-18-5-2-3-6-19(18)15-24/h2-3,5-6,8-9,13,20,25H,4,7,10-12,14-16H2,1H3/p+1/t20-/m0/s1