1-adamantyl-[[3-methoxy-4-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium

Systemtic Name: 1-adamantyl-[[3-methoxy-4-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[4-[(2S)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]ammonium Formula: C26H42N2O4+2 MolecularWeight: 446.62268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC(C[NH+]5CCC(CC5)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OC[C@H](C[NH+]5CCC(CC5)O)O

InChI

InChI=1S/C26H40N2O4/c1-31-25-11-18(15-27-26-12-19-8-20(13-26)10-21(9-19)14-26)2-3-24(25)32-17-23(30)16-28-6-4-22(29)5-7-28/h2-3,11,19-23,27,29-30H,4-10,12-17H2,1H3/p+2/t19?,20?,21?,23-,26?/m0/s1