furan-2-yl-[4-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: 2-furyl-[4-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: 2-furanyl-[4-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: furan-2-yl-[4-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: 2-furyl-[4-[(3-phenethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=CO2)CC3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=CO2)CC3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3/c26-21(18-8-4-15-27-18)25-12-5-11-24(13-14-25)16-20-22-19(23-28-20)10-9-17-6-2-1-3-7-17/h1-4,6-8,15H,5,9-14,16H2/p+1