2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole

Systemtic Name: 2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C23H26N5O+ MolecularWeight: 388.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5O4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5O4)C

InChI

InChI=1S/C23H25N5O/c1-16-7-8-18(13-17(16)2)22-19(14-24-26-22)15-27-9-11-28(12-10-27)23-25-20-5-3-4-6-21(20)29-23/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,26)/p+1