(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: (2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: (2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[[2-keto-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]methyl]ammonium Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CN2C(=O)OC(=N2)C3=CC=CS3

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CN2C(=O)OC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H19N3O2S/c1-13(2)19(11-14-7-4-3-5-8-14)12-20-17(21)22-16(18-20)15-9-6-10-23-15/h3-10,13H,11-12H2,1-2H3/p+1