(1R,6S)-3,4-dimethyl-6-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-3,4-dimethyl-6-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-3,4-dimethyl-6-[4-(p-tolylmethyl)piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-3,4-dimethyl-6-[[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-3,4-dimethyl-6-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-3,4-dimethyl-6-[4-(4-methylbenzyl)piperazin-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)CC3=CC=C(C=C3)C)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-15-4-6-18(7-5-15)14-23-8-10-24(11-9-23)21(25)19-12-16(2)17(3)13-20(19)22(26)27/h4-7,19-20H,8-14H2,1-3H3,(H,26,27)/t19-,20+/m0/s1