(1R,6R)-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-2-22-11-13-23(14-12-22)16-9-7-15(8-10-16)21-19(24)17-5-3-4-6-18(17)20(25)26/h3-4,7-10,17-18H,2,5-6,11-14H2,1H3,(H,21,24)(H,25,26)/t17-,18-/m1/s1