4-[(3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]phenol

Systemtic Name: 4-[(3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]phenol Openeye Name: 4-[(3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]phenol CAS Name: 4-[(3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]phenol IUPAC Name: 4-[(3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]phenol Traditional Name: 4-[(3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]phenol Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)O)[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H27NO3/c1-15(4-5-16-6-8-19(23)9-7-16)22-11-10-17-12-20(24-2)21(25-3)13-18(17)14-22/h6-9,12-13,15,23H,4-5,10-11,14H2,1-3H3/p+1/t15-/m1/s1