methyl 2-[[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]amino]acetate CAS Name: 2-[[oxo-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbonyl]amino]acetate Traditional Name: 2-[[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]amino]acetic acid methyl ester Formula: C15H23N4O3+ MolecularWeight: 307.36812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)N1CC[NH+](CC1)CCC2=CC=NC=C2

Isomeric SMILES

COC(=O)CNC(=O)N1CC[NH+](CC1)CCC2=CC=NC=C2

InChI

InChI=1S/C15H22N4O3/c1-22-14(20)12-17-15(21)19-10-8-18(9-11-19)7-4-13-2-5-16-6-3-13/h2-3,5-6H,4,7-12H2,1H3,(H,17,21)/p+1