5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3-pyridin-4-ylpropyl)pyridin-1-ium-2-amine

Systemtic Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3-pyridin-4-ylpropyl)pyridin-1-ium-2-amine Openeye Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[3-(4-pyridyl)propyl]pyridin-1-ium-2-amine CAS Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3-pyridin-4-ylpropyl)-2-pyridin-1-iumamine IUPAC Name: 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3-pyridin-4-ylpropyl)pyridin-1-ium-2-amine Traditional Name: [5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-1-ium-2-yl]-[3-(4-pyridyl)propyl]amine Formula: C18H20N5O+ MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NOC(=N2)C3=C[NH+]=C(C=C3)NCCCC4=CC=NC=C4

Isomeric SMILES

C1CC1C2=NOC(=N2)C3=C[NH+]=C(C=C3)NCCCC4=CC=NC=C4

InChI

InChI=1S/C18H19N5O/c1(2-13-7-10-19-11-8-13)9-20-16-6-5-15(12-21-16)18-22-17(23-24-18)14-3-4-14/h5-8,10-12,14H,1-4,9H2,(H,20,21)/p+1