4-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-1,4-oxazepane

Systemtic Name: 4-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-1,4-oxazepane Openeye Name: 4-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-1,4-oxazepane CAS Name: 4-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)-2-pyridin-1-iumyl]-1,4-oxazepane IUPAC Name: 4-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-1,4-oxazepane Traditional Name: 4-[5-(3-phenethyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-1,4-oxazepane Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCOC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCOC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2/c1-2-5-16(6-3-1)7-9-18-22-20(26-23-18)17-8-10-19(21-15-17)24-11-4-13-25-14-12-24/h1-3,5-6,8,10,15H,4,7,9,11-14H2/p+1