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(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-3H-2-benzofuran-1-one

(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-3H-2-benzofuran-1-one

Systemtic Name:(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-3H-2-benzofuran-1-one
Openeye Name:(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-3H-isobenzofuran-1-one
CAS Name:(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-3H-isobenzofuran-1-one
IUPAC Name:(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-3H-2-benzofuran-1-one
Traditional Name:(3S)-3-(4-phenylpiperazin-1-ium-1-yl)phthalide
Formula: C18H19N2O2+
MolecularWeight: 295.35566
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4


Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4


InChI

InChI=1S/C18H18N2O2/c21-18-16-9-5-4-8-15(16)17(22-18)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-9,17H,10-13H2/p+1/t17-/m0/s1


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