(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: (5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]-[[(2S)-5-oxopyrrolidin-2-yl]methyl]ammonium CAS Name: [5-methyl-2-(3-thiophenyl)-4-oxazolyl]methyl-[[(2S)-5-oxo-2-pyrrolidinyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-[[(2S)-5-oxopyrrolidin-2-yl]methyl]azanium Traditional Name: benzyl-[[(2S)-5-ketopyrrolidin-2-yl]methyl]-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]ammonium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CSC=C2)C[NH+](CC3CCC(=O)N3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CSC=C2)C[NH+](C[C@@H]3CCC(=O)N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c1-15-19(23-21(26-15)17-9-10-27-14-17)13-24(11-16-5-3-2-4-6-16)12-18-7-8-20(25)22-18/h2-6,9-10,14,18H,7-8,11-13H2,1H3,(H,22,25)/p+1/t18-/m0/s1