(2S)-1-(2-methoxy-4-prop-2-enyl-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

Systemtic Name: (2S)-1-(2-methoxy-4-prop-2-enyl-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(C[NH+]2CCC3=CC=CC=C3C2)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OC[C@H](C[NH+]2CCC3=CC=CC=C3C2)O

InChI

InChI=1S/C22H27NO3/c1-3-6-17-9-10-21(22(13-17)25-2)26-16-20(24)15-23-12-11-18-7-4-5-8-19(18)14-23/h3-5,7-10,13,20,24H,1,6,11-12,14-16H2,2H3/p+1/t20-/m0/s1