ethyl (3R)-1-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H36N4O3+2 MolecularWeight: 404.54624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCC(C3)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC[C@H](C3)C(=O)OCC

InChI

InChI=1S/C22H34N4O3/c1-3-24-12-14-26(15-13-24)20-9-7-19(8-10-20)23-21(27)17-25-11-5-6-18(16-25)22(28)29-4-2/h7-10,18H,3-6,11-17H2,1-2H3,(H,23,27)/p+2/t18-/m1/s1