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

Systemtic Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Openeye Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium CAS Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: [(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Traditional Name: [(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium Formula: C26H46N2O3+2 MolecularWeight: 434.65504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N2O3/c1-25(2,3)23-17-22(30-4)11-12-24(23)31-19-21(29)18-27-20-26(13-7-5-8-14-26)28-15-9-6-10-16-28/h11-12,17,21,27,29H,5-10,13-16,18-20H2,1-4H3/p+2/t21-/m0/s1