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

Systemtic Name: (1R,6S)-6-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylcyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[4-(p-tolylmethyl)piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[4-(4-methylbenzyl)piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate Formula: C20H26N2O3 MolecularWeight: 342.43204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]

InChI

InChI=1S/C20H26N2O3/c1-15-6-8-16(9-7-15)14-21-10-12-22(13-11-21)19(23)17-4-2-3-5-18(17)20(24)25/h2-3,6-9,17-18H,4-5,10-14H2,1H3,(H,24,25)/t17-,18+/m0/s1