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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CCNC(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

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