N-[(6-methylpyridin-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(6-methylpyridin-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(6-methyl-2-pyridyl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(6-methyl-2-pyridinyl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(6-methylpyridin-2-yl)methyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-[(6-methyl-2-pyridyl)methyl]acetamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CNC(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-17-7-5-11-19(25-17)16-24-21(27)15-20-22(28)23-12-14-26(20)13-6-10-18-8-3-2-4-9-18/h2-5,7-9,11,20H,6,10,12-16H2,1H3,(H,23,28)(H,24,27)/p+1/t20-/m1/s1