3-[[(2S)-2-pyridin-3-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[(2S)-2-pyridin-3-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[(2S)-2-(3-pyridyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[(2S)-2-(3-pyridinyl)-1-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[(2S)-2-pyridin-3-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[(2S)-2-(3-pyridyl)pyrrolidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C3=CC=CC=C3OC2=O)C4=CN=CC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CN2C3=CC=CC=C3OC2=O)C4=CN=CC=C4

InChI

InChI=1S/C17H17N3O2/c21-17-20(15-6-1-2-8-16(15)22-17)12-19-10-4-7-14(19)13-5-3-9-18-11-13/h1-3,5-6,8-9,11,14H,4,7,10,12H2/p+1/t14-/m0/s1