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

Systemtic Name: (1R,6S)-6-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-(4-m-anisylpiperazin-4-ium-1-carbonyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-15-11-19(20(22(26)27)12-16(15)2)21(25)24-9-7-23(8-10-24)14-17-5-4-6-18(13-17)28-3/h4-6,13,19-20H,7-12,14H2,1-3H3,(H,26,27)/t19-,20+/m0/s1