(3S)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]phthalide Formula: C19H21N2O3+ MolecularWeight: 325.38164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)[C@@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C19H20N2O3/c1-23-15-6-4-5-14(13-15)20-9-11-21(12-10-20)18-16-7-2-3-8-17(16)19(22)24-18/h2-8,13,18H,9-12H2,1H3/p+1/t18-/m0/s1