(4-aminocarbonylphenyl)methyl-cyclopropyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-cyclopropyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium Openeye Name: (4-carbamoylphenyl)methyl-cyclopropyl-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium CAS Name: (4-carbamoylphenyl)methyl-cyclopropyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ammonium IUPAC Name: (4-carbamoylphenyl)methyl-cyclopropyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium Traditional Name: (4-carbamoylbenzyl)-cyclopropyl-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC=C(C=C2)C(=O)N)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CC1[NH+](CC2=CC=C(C=C2)C(=O)N)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C18H18N4O2S/c19-17(23)13-5-3-12(4-6-13)10-22(14-7-8-14)11-16-20-18(21-24-16)15-2-1-9-25-15/h1-6,9,14H,7-8,10-11H2,(H2,19,23)/p+1