N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C28H32N5O2+ MolecularWeight: 470.58598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H31N5O2/c1-21-27(28(35)33(30(21)2)24-12-4-3-5-13-24)29-26(34)20-32-17-15-31(16-18-32)19-23-11-8-10-22-9-6-7-14-25(22)23/h3-14H,15-20H2,1-2H3,(H,29,34)/p+1