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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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