5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenylpropyl)pyridin-1-ium-2-amine

Systemtic Name: 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenylpropyl)pyridin-1-ium-2-amine Openeye Name: 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenylpropyl)pyridin-1-ium-2-amine CAS Name: 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenylpropyl)-2-pyridin-1-iumamine IUPAC Name: 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenylpropyl)pyridin-1-ium-2-amine Traditional Name: [5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-(3-phenylpropyl)amine Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NOC(=N1)C2=C[NH+]=C(C=C2)NCCCC3=CC=CC=C3

Isomeric SMILES

COCC1=NOC(=N1)C2=C[NH+]=C(C=C2)NCCCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2/c1-23-13-17-21-18(24-22-17)15-9-10-16(20-12-15)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,19,20)/p+1