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

Systemtic Name: N-methyl-N-(oxan-4-yl)-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine Openeye Name: N-methyl-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-N-tetrahydropyran-4-yl-pyridin-1-ium-2-amine CAS Name: N-methyl-N-(4-oxanyl)-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-1-iumamine IUPAC Name: N-methyl-N-(oxan-4-yl)-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-amine Traditional Name: methyl-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-1-ium-2-yl]-tetrahydropyran-4-yl-amine Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCCC4=CC=CC=C4

Isomeric SMILES

CN(C1CCOCC1)C2=[NH+]C=C(C=C2)C3=NC(=NO3)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2/c1-26(19-12-14-27-15-13-19)21-11-10-18(16-23-21)22-24-20(25-28-22)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,16,19H,5,8-9,12-15H2,1H3/p+1