[5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-methylbutyl)azanium

Systemtic Name: [5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-methylbutyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-isopentyl-ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl-(3-methylbutyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl-(3-methylbutyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-isoamyl-ammonium Formula: C21H38N2O4+2 MolecularWeight: 382.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]CC1=C(C=CC(=C1)OC)OCC(C[NH+]2CCC(CC2)O)O

Isomeric SMILES

CC(C)CC[NH2+]CC1=C(C=CC(=C1)OC)OC[C@@H](C[NH+]2CCC(CC2)O)O

InChI

InChI=1S/C21H36N2O4/c1-16(2)6-9-22-13-17-12-20(26-3)4-5-21(17)27-15-19(25)14-23-10-7-18(24)8-11-23/h4-5,12,16,18-19,22,24-25H,6-11,13-15H2,1-3H3/p+2/t19-/m1/s1