3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C27H37N4O+ MolecularWeight: 433.60888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H36N4O/c1-20(2)18-31-22(4)25(21(3)28-31)12-13-27(32)30-16-14-29(15-17-30)19-24-10-7-9-23-8-5-6-11-26(23)24/h5-11,20H,12-19H2,1-4H3/p+1