2-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C23H27N2O+ MolecularWeight: 347.47328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3O2)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3O2)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H26N2O/c1-2-8-20-15-25(13-11-18(20)6-1)21-9-5-12-24(16-21)17-22-14-19-7-3-4-10-23(19)26-22/h1-4,6-8,10,14,21H,5,9,11-13,15-17H2/p+1/t21-/m0/s1