5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole

Systemtic Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole Openeye Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole CAS Name: 5-[6-(4-ethyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole IUPAC Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole Traditional Name: 5-[6-(4-ethylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(3-phenylpropyl)-1,2,4-oxadiazole Formula: C22H29N5O+2 MolecularWeight: 379.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCCC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCCC4=CC=CC=C4

InChI

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