N-(2-cyclopentylpyrazol-3-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H33N5O+2 MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=NN3C4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=NN3C4CCCC4

InChI

InChI=1S/C22H31N5O/c1-18-6-2-3-7-19(18)16-25-12-14-26(15-13-25)17-22(28)24-21-10-11-23-27(21)20-8-4-5-9-20/h2-3,6-7,10-11,20H,4-5,8-9,12-17H2,1H3,(H,24,28)/p+2