(1R,6S)-3,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-3,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-3,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C23H30N2O3/c1-17-15-20(21(23(27)28)16-18(17)2)22(26)25-13-11-24(12-14-25)10-6-9-19-7-4-3-5-8-19/h3-9,20-21H,10-16H2,1-2H3,(H,27,28)/b9-6+/t20-,21+/m0/s1