[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium

Systemtic Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(isoquinolin-5-ylmethyl)-methyl-azanium Openeye Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(5-isoquinolylmethyl)-methyl-ammonium CAS Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(5-isoquinolinylmethyl)-methylammonium IUPAC Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(isoquinolin-5-ylmethyl)-methylazanium Traditional Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(5-isoquinolylmethyl)-methyl-ammonium Formula: C20H18ClN4O+ MolecularWeight: 365.83612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC2=C1C=CN=C2)CC3=NC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[NH+](CC1=CC=CC2=C1C=CN=C2)CC3=NC(=NO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4O/c1-25(12-16-4-2-3-15-11-22-10-9-18(15)16)13-19-23-20(24-26-19)14-5-7-17(21)8-6-14/h2-11H,12-13H2,1H3/p+1