(2S)-1-cyclohexyloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

Systemtic Name: (2S)-1-cyclohexyloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-1-(cyclohexoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-1-cyclohexyloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-1-cyclohexyloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-1-(cyclohexoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OCC(C[NH+]2CCC3=CC=CC=C3C2)O

Isomeric SMILES

C1CCC(CC1)OC[C@H](C[NH+]2CCC3=CC=CC=C3C2)O

InChI

InChI=1S/C18H27NO2/c20-17(14-21-18-8-2-1-3-9-18)13-19-11-10-15-6-4-5-7-16(15)12-19/h4-7,17-18,20H,1-3,8-14H2/p+1/t17-/m0/s1