5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-pyridin-1-ium-4-ylpropyl]pyridin-2-amine

Systemtic Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-pyridin-1-ium-4-ylpropyl]pyridin-2-amine Openeye Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-pyridin-1-ium-4-ylpropyl]pyridin-2-amine CAS Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-pyridin-1-iumyl)propyl]-2-pyridinamine IUPAC Name: 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-pyridin-1-ium-4-ylpropyl]pyridin-2-amine Traditional Name: [5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridyl]-[(1S)-1-pyridin-1-ium-4-ylpropyl]amine Formula: C22H22N5O2+ MolecularWeight: 388.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=[NH+]C=C1)NC2=NC=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

Isomeric SMILES

CC[C@@H](C1=CC=[NH+]C=C1)NC2=NC=C(C=C2)C3=NC(=NO3)COC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c1-2-19(16-10-12-23-13-11-16)25-20-9-8-17(14-24-20)22-26-21(27-29-22)15-28-18-6-4-3-5-7-18/h3-14,19H,2,15H2,1H3,(H,24,25)/p+1/t19-/m0/s1