3-(4-chlorophenyl)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-chlorophenyl)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-chlorophenyl)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-chlorophenyl)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-chlorophenyl)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-chlorophenyl)-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C15H20ClN4O+ MolecularWeight: 307.7985

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H19ClN4O/c1-19-7-2-8-20(10-9-19)11-14-17-15(18-21-14)12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3/p+1