5-[3-[4-[(3S)-3-imidazol-1-ylpyrrolidin-1-ium-1-yl]piperidin-1-yl]phenyl]-1,3-oxazole

Systemtic Name: 5-[3-[4-[(3S)-3-imidazol-1-ylpyrrolidin-1-ium-1-yl]piperidin-1-yl]phenyl]-1,3-oxazole Openeye Name: 5-[3-[4-[(3S)-3-imidazol-1-ylpyrrolidin-1-ium-1-yl]-1-piperidyl]phenyl]oxazole CAS Name: 5-[3-[4-[(3S)-3-(1-imidazolyl)-1-pyrrolidin-1-iumyl]-1-piperidinyl]phenyl]oxazole IUPAC Name: 5-[3-[4-[(3S)-3-imidazol-1-ylpyrrolidin-1-ium-1-yl]piperidin-1-yl]phenyl]-1,3-oxazole Traditional Name: 5-[3-[4-[(3S)-3-imidazol-1-ylpyrrolidin-1-ium-1-yl]piperidino]phenyl]oxazole Formula: C21H26N5O+ MolecularWeight: 364.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1N2C=CN=C2)C3CCN(CC3)C4=CC=CC(=C4)C5=CN=CO5

Isomeric SMILES

C1C[NH+](C[C@H]1N2C=CN=C2)C3CCN(CC3)C4=CC=CC(=C4)C5=CN=CO5

InChI

InChI=1S/C21H25N5O/c1-2-17(21-13-23-16-27-21)12-19(3-1)24-8-4-18(5-9-24)25-10-6-20(14-25)26-11-7-22-15-26/h1-3,7,11-13,15-16,18,20H,4-6,8-10,14H2/p+1/t20-/m0/s1