(2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-butan-1-ol

Systemtic Name: (2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-butan-1-ol Openeye Name: (2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-butan-1-ol CAS Name: (2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-1-butanol IUPAC Name: (2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methylbutan-1-ol Traditional Name: (2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-butan-1-ol Formula: C14H20NO+ MolecularWeight: 218.3147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)[N+]1=CC2=CC=CC=C2CC1

Isomeric SMILES

CC(C)[C@@H](CO)[N+]1=CC2=CC=CC=C2CC1

InChI

InChI=1S/C14H20NO/c1-11(2)14(10-16)15-8-7-12-5-3-4-6-13(12)9-15/h3-6,9,11,14,16H,7-8,10H2,1-2H3/q+1/t14-/m1/s1