(1S,6S)-6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-(4-ethylpiperazin-4-ium-1-carbonyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-(4-ethylpiperazin-4-ium-1-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(4-ethylpiperazin-4-ium-1-carbonyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C16H26N2O3 MolecularWeight: 294.38924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CC(=C(CC2C(=O)[O-])C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-4-17-5-7-18(8-6-17)15(19)13-9-11(2)12(3)10-14(13)16(20)21/h13-14H,4-10H2,1-3H3,(H,20,21)/t13-,14-/m0/s1