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

Systemtic Name: [(2S)-3-[(2-methoxyphenyl)methoxy]-2-oxidanyl-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium CAS Name: [(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]azanium Traditional Name: [(2S)-2-hydroxy-3-o-anisyloxy-propyl]-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ammonium Formula: C23H40N2O3+2 MolecularWeight: 392.5753

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COCC(C[NH2+]CC2(CCCCC2)[NH+]3CCCCC3)O

Isomeric SMILES

COC1=CC=CC=C1COC[C@H](C[NH2+]CC2(CCCCC2)[NH+]3CCCCC3)O

InChI

InChI=1S/C23H38N2O3/c1-27-22-11-5-4-10-20(22)17-28-18-21(26)16-24-19-23(12-6-2-7-13-23)25-14-8-3-9-15-25/h4-5,10-11,21,24,26H,2-3,6-9,12-19H2,1H3/p+2/t21-/m0/s1