methyl (2R,3S)-3-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]valeric acid methyl ester Formula: C18H30N4O3+2 MolecularWeight: 350.4558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C18H28N4O3/c1-4-14(2)17(18(24)25-3)20-16(23)13-21-9-11-22(12-10-21)15-7-5-6-8-19-15/h5-8,14,17H,4,9-13H2,1-3H3,(H,20,23)/p+2/t14-,17+/m0/s1