4-[[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Formula: C18H24N5O+ MolecularWeight: 326.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(O1)CN2CCC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=NN=C(O1)CN2CCC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H23N5O/c1-2-17-20-21-18(24-17)14-23-9-3-8-22(10-11-23)13-16-6-4-15(12-19)5-7-16/h4-7H,2-3,8-11,13-14H2,1H3/p+1