(3S)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-3H-isobenzofuran-1-one CAS Name: (3S)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)-3H-2-benzofuran-1-one Traditional Name: (3S)-3-(4-benzylpiperidin-1-ium-1-yl)phthalide Formula: C20H22NO2+ MolecularWeight: 308.39418

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)[C@@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H21NO2/c22-20-18-9-5-4-8-17(18)19(23-20)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/p+1/t19-/m0/s1