[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl]-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: [2-oxo-2-(3-phenylpropylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ammonium IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Traditional Name: [2-keto-2-(3-phenylpropylamino)ethyl]-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NN=C(O1)C2=CC=CS2)CC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCC[NH+](CC1=NN=C(O1)C2=CC=CS2)CC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S/c1-2-13-25(16-20-23-24-21(27-20)18-11-7-14-28-18)15-19(26)22-12-6-10-17-8-4-3-5-9-17/h3-5,7-9,11,14H,2,6,10,12-13,15-16H2,1H3,(H,22,26)/p+1