3-oxidanyl-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohex-2-en-1-one

Systemtic Name: 3-oxidanyl-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohex-2-en-1-one Formula: C15H18NO2+ MolecularWeight: 244.30892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C2C3=CC=CC=C3CC[NH2+]2)O

Isomeric SMILES

C1CC(=C(C(=O)C1)[C@@H]2C3=CC=CC=C3CC[NH2+]2)O

InChI

InChI=1S/C15H17NO2/c17-12-6-3-7-13(18)14(12)15-11-5-2-1-4-10(11)8-9-16-15/h1-2,4-5,15-17H,3,6-9H2/p+1/t15-/m0/s1