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

Systemtic Name: (1R,6S)-3,4-dimethyl-6-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-3,4-dimethyl-6-(4-phenethylpiperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-3,4-dimethyl-6-(4-phenethylpiperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-3,4-dimethyl-6-(4-phenethylpiperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxylate Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C22H30N2O3/c1-16-14-19(20(22(26)27)15-17(16)2)21(25)24-12-10-23(11-13-24)9-8-18-6-4-3-5-7-18/h3-7,19-20H,8-15H2,1-2H3,(H,26,27)/t19-,20+/m0/s1