4-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(1S)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-[(1S)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-4-ium-1-yl]phenol Formula: C17H25N4O2+ MolecularWeight: 317.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C(C)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@@H](C1=NC(=NO1)C(C)C)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H24N4O2/c1-12(2)16-18-17(23-19-16)13(3)20-8-10-21(11-9-20)14-4-6-15(22)7-5-14/h4-7,12-13,22H,8-11H2,1-3H3/p+1/t13-/m0/s1