cyclohexyl-methyl-[[2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methyl]azanium Traditional Name: cyclohexyl-methyl-[2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylamino]benzyl]ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NCC2=NC(=NO2)C3=CSC=C3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NCC2=NC(=NO2)C3=CSC=C3)C4CCCCC4

InChI

InChI=1S/C21H26N4OS/c1-25(18-8-3-2-4-9-18)14-16-7-5-6-10-19(16)22-13-20-23-21(24-26-20)17-11-12-27-15-17/h5-7,10-12,15,18,22H,2-4,8-9,13-14H2,1H3/p+1