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

Systemtic Name: cyclohexyl-[[5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-prop-2-ynyl-azanium Openeye Name: cyclohexyl-[[2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl]-prop-2-ynyl-ammonium CAS Name: cyclohexyl-[[2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl]-prop-2-ynylammonium IUPAC Name: cyclohexyl-[[2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl]-prop-2-ynylazanium Traditional Name: cyclohexyl-[2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-propargyl-ammonium Formula: C25H40N2O4+2 MolecularWeight: 432.5961

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)C[NH+](CC#C)C3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)C[NH+](CC#C)C3CCCCC3

InChI

InChI=1S/C25H38N2O4/c1-3-13-27(21-7-5-4-6-8-21)17-20-16-24(30-2)9-10-25(20)31-19-23(29)18-26-14-11-22(28)12-15-26/h1,9-10,16,21-23,28-29H,4-8,11-15,17-19H2,2H3/p+2/t23-/m1/s1