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

Systemtic Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-1-(1-ethynylcyclohexoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-1-(1-ethynylcyclohexoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)OCC(C[NH+]2CCC3=CC=CC=C3C2)O

Isomeric SMILES

C#CC1(CCCCC1)OC[C@H](C[NH+]2CCC3=CC=CC=C3C2)O

InChI

InChI=1S/C20H27NO2/c1-2-20(11-6-3-7-12-20)23-16-19(22)15-21-13-10-17-8-4-5-9-18(17)14-21/h1,4-5,8-9,19,22H,3,6-7,10-16H2/p+1/t19-/m0/s1