N-[(5-ethylpyridin-2-yl)methyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(5-ethylpyridin-2-yl)methyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(5-ethyl-2-pyridyl)methyl]-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(5-ethyl-2-pyridinyl)methyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(5-ethylpyridin-2-yl)methyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(5-ethyl-2-pyridyl)methyl]-2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3C

Isomeric SMILES

CCC1=CN=C(C=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3C

InChI

InChI=1S/C22H28N4O2/c1-3-17-8-9-19(24-13-17)14-25-21(27)12-20-22(28)23-10-11-26(20)15-18-7-5-4-6-16(18)2/h4-9,13,20H,3,10-12,14-15H2,1-2H3,(H,23,28)(H,25,27)/p+1/t20-/m1/s1