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

Systemtic Name: (2S)-1-butoxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-1-butoxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-1-butoxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-1-butoxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-1-butoxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(C[NH+]1CCC2=CC=CC=C2C1)O

Isomeric SMILES

CCCCOC[C@H](C[NH+]1CCC2=CC=CC=C2C1)O

InChI

InChI=1S/C16H25NO2/c1-2-3-10-19-13-16(18)12-17-9-8-14-6-4-5-7-15(14)11-17/h4-7,16,18H,2-3,8-13H2,1H3/p+1/t16-/m0/s1