[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(4-oxidanylcyclohexyl)azanium

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: (4-hydroxycyclohexyl)-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: (4-hydroxycyclohexyl)-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: (4-hydroxycyclohexyl)-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: (4-hydroxycyclohexyl)-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C22H38N2O4+2 MolecularWeight: 394.54812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCC(CC2)O)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2CCC(CC2)O)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C22H36N2O4/c1-27-21-10-5-17(14-23-18-6-8-19(25)9-7-18)13-22(21)28-16-20(26)15-24-11-3-2-4-12-24/h5,10,13,18-20,23,25-26H,2-4,6-9,11-12,14-16H2,1H3/p+2/t18?,19?,20-/m1/s1