3-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methyl]chromen-4-one Openeye Name: 3-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidyl]methyl]chromen-4-one CAS Name: 3-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidinyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methyl]chromen-4-one Traditional Name: 3-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidino]methyl]chromone Formula: C24H27N2O2+ MolecularWeight: 375.48338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=COC3=CC=CC=C3C2=O)[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=COC3=CC=CC=C3C2=O)[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H26N2O2/c27-24-20(17-28-23-10-4-3-9-22(23)24)14-25-12-5-8-21(16-25)26-13-11-18-6-1-2-7-19(18)15-26/h1-4,6-7,9-10,17,21H,5,8,11-16H2/p+1/t21-/m0/s1