dimethyl-[(3S)-1-[[2-(phenylmethyl)-1,3-benzoxazol-5-yl]carbonyl]pyrrolidin-3-yl]azanium

Systemtic Name: dimethyl-[(3S)-1-[[2-(phenylmethyl)-1,3-benzoxazol-5-yl]carbonyl]pyrrolidin-3-yl]azanium Openeye Name: [(3S)-1-(2-benzyl-1,3-benzoxazole-5-carbonyl)pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: dimethyl-[(3S)-1-[oxo-[2-(phenylmethyl)-1,3-benzoxazol-5-yl]methyl]-3-pyrrolidinyl]ammonium IUPAC Name: [(3S)-1-(2-benzyl-1,3-benzoxazole-5-carbonyl)pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-(2-benzyl-1,3-benzoxazole-5-carbonyl)pyrrolidin-3-yl]-dimethyl-ammonium Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1CCN(C1)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H]1CCN(C1)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2/c1-23(2)17-10-11-24(14-17)21(25)16-8-9-19-18(13-16)22-20(26-19)12-15-6-4-3-5-7-15/h3-9,13,17H,10-12,14H2,1-2H3/p+1/t17-/m0/s1