2-[4-[4-(2-azanylethyl)piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[4-(2-azanylethyl)piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[4-(2-aminoethyl)piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(2-aminoethyl)-1-piperazinyl]-1-ethyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[4-(2-aminoethyl)piperazin-1-yl]-1-ethylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(2-aminoethyl)piperazino]-1-ethyl-piperidin-1-ium-1-yl]acetate Formula: C15H30N4O2 MolecularWeight: 298.4243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)N2CCN(CC2)CCN)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(CC1)N2CCN(CC2)CCN)CC(=O)[O-]

InChI

InChI=1S/C15H30N4O2/c1-2-19(13-15(20)21)11-3-14(4-12-19)18-9-7-17(6-5-16)8-10-18/h14H,2-13,16H2,1H3