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

Systemtic Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N5O/c1-16-22(17(2)25-24-16)23-21(28)15-27-12-10-26(11-13-27)14-19-8-5-7-18-6-3-4-9-20(18)19/h3-9H,10-15H2,1-2H3,(H,23,28)(H,24,25)/p+1