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

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C28H32N5O+ MolecularWeight: 454.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H31N5O/c1-21-28(22(2)33(30-21)25-12-4-3-5-13-25)29-27(34)20-32-17-15-31(16-18-32)19-24-11-8-10-23-9-6-7-14-26(23)24/h3-14H,15-20H2,1-2H3,(H,29,34)/p+1