[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-phenyl-1H-pyrazol-5-yl)methanone IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Traditional Name: (3-phenyl-1H-pyrazol-5-yl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C23H27N4O3+ MolecularWeight: 407.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H26N4O3/c1-29-21-9-8-17(14-22(21)30-2)16-26-10-12-27(13-11-26)23(28)20-15-19(24-25-20)18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,25)/p+1