[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium

Systemtic Name: [(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Openeye Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium CAS Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Traditional Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium Formula: C24H40N2O4+2 MolecularWeight: 420.5854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(C[NH2+]CC2(CCCCC2)[NH+]3CCCCC3)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](C[NH2+]CC2(CCCCC2)[NH+]3CCCCC3)O)OC

InChI

InChI=1S/C24H38N2O4/c1-19(27)20-9-10-22(23(15-20)29-2)30-17-21(28)16-25-18-24(11-5-3-6-12-24)26-13-7-4-8-14-26/h9-10,15,21,25,28H,3-8,11-14,16-18H2,1-2H3/p+2/t21-/m0/s1