3-(phenylmethyl)-5-[6-(4-propyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(phenylmethyl)-5-[6-(4-propyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]-1,2,4-oxadiazole Openeye Name: 3-benzyl-5-[6-(4-propyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]-1,2,4-oxadiazole CAS Name: 3-(phenylmethyl)-5-[6-(4-propyl-1,4-diazepan-4-ium-1-yl)-3-pyridin-1-iumyl]-1,2,4-oxadiazole IUPAC Name: 3-benzyl-5-[6-(4-propyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]-1,2,4-oxadiazole Traditional Name: 3-benzyl-5-[6-(4-propyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]-1,2,4-oxadiazole Formula: C22H29N5O+2 MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCCN(CC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCCN(CC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c1-2-11-26-12-6-13-27(15-14-26)21-10-9-19(17-23-21)22-24-20(25-28-22)16-18-7-4-3-5-8-18/h3-5,7-10,17H,2,6,11-16H2,1H3/p+2