[(2R,6S)-2,4,6-trimethyl-1-(2-piperidin-1-ium-1-ylethanoyloxymethyl)cyclohex-3-en-1-yl]methyl 2-piperidin-1-ium-1-ylethanoate

Systemtic Name: [(2R,6S)-2,4,6-trimethyl-1-(2-piperidin-1-ium-1-ylethanoyloxymethyl)cyclohex-3-en-1-yl]methyl 2-piperidin-1-ium-1-ylethanoate Openeye Name: [(2R,6S)-2,4,6-trimethyl-1-[(2-piperidin-1-ium-1-ylacetyl)oxymethyl]cyclohex-3-en-1-yl]methyl 2-piperidin-1-ium-1-ylacetate CAS Name: 2-(1-piperidin-1-iumyl)acetic acid [(2R,6S)-2,4,6-trimethyl-1-[[1-oxo-2-(1-piperidin-1-iumyl)ethoxy]methyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [(2R,6S)-2,4,6-trimethyl-1-[(2-piperidin-1-ium-1-ylacetyl)oxymethyl]cyclohex-3-en-1-yl]methyl 2-piperidin-1-ium-1-ylacetate Traditional Name: 2-piperidin-1-ium-1-ylacetic acid [(2R,6S)-2,4,6-trimethyl-1-[(2-piperidin-1-ium-1-ylacetyl)oxymethyl]cyclohex-3-en-1-yl]methyl ester Formula: C25H44N2O4+2 MolecularWeight: 436.62786

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(C1(COC(=O)C[NH+]2CCCCC2)COC(=O)C[NH+]3CCCCC3)C)C

Isomeric SMILES

C[C@H]1CC(=C[C@H](C1(COC(=O)C[NH+]2CCCCC2)COC(=O)C[NH+]3CCCCC3)C)C

InChI

InChI=1S/C25H42N2O4/c1-20-14-21(2)25(22(3)15-20,18-30-23(28)16-26-10-6-4-7-11-26)19-31-24(29)17-27-12-8-5-9-13-27/h14,21-22H,4-13,15-19H2,1-3H3/p+2/t21-,22+/m1/s1