4-[[(2S)-2-[2-(1H-imidazol-3-ium-3-yl)ethyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-naphthalen-1-yl-1,3-oxazole

Systemtic Name: 4-[[(2S)-2-[2-(1H-imidazol-3-ium-3-yl)ethyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-naphthalen-1-yl-1,3-oxazole Openeye Name: 4-[[(2S)-2-[2-(1H-imidazol-3-ium-3-yl)ethyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-(1-naphthyl)oxazole CAS Name: 4-[[(2S)-2-[2-(1H-imidazol-3-ium-3-yl)ethyl]-1-piperidin-1-iumyl]methyl]-5-methyl-2-(1-naphthalenyl)oxazole IUPAC Name: 4-[[(2S)-2-[2-(1H-imidazol-3-ium-3-yl)ethyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-naphthalen-1-yl-1,3-oxazole Traditional Name: 4-[[(2S)-2-[2-(1H-imidazol-3-ium-3-yl)ethyl]piperidin-1-ium-1-yl]methyl]-5-methyl-2-(1-naphthyl)oxazole Formula: C25H30N4O+2 MolecularWeight: 402.5319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC3=CC=CC=C32)C[NH+]4CCCCC4CC[N+]5=CNC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC3=CC=CC=C32)C[NH+]4CCCC[C@H]4CC[N+]5=CNC=C5

InChI

InChI=1S/C25H28N4O/c1-19-24(17-29-14-5-4-9-21(29)12-15-28-16-13-26-18-28)27-25(30-19)23-11-6-8-20-7-2-3-10-22(20)23/h2-3,6-8,10-11,13,16,18,21H,4-5,9,12,14-15,17H2,1H3/p+2/t21-/m0/s1