ethyl 3-[[(3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[(3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[(3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidine-1-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[(3R)-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-piperidinyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidine-1-carbonyl]amino]propanoate Traditional Name: 3-[[(3R)-3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]piperidine-1-carbonyl]amino]propionic acid ethyl ester Formula: C23H36N5O4+ MolecularWeight: 446.56304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)N1CCCC(C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCOC(=O)CCNC(=O)N1CCC[C@@H](C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C23H35N5O4/c1-2-32-22(30)10-12-25-23(31)28-13-5-6-19(18-28)8-9-21(29)27-16-14-26(15-17-27)20-7-3-4-11-24-20/h3-4,7,11,19H,2,5-6,8-10,12-18H2,1H3,(H,25,31)/p+1/t19-/m1/s1