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

Systemtic Name: cyclohexyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-prop-2-ynyl-azanium Openeye Name: cyclohexyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]-prop-2-ynyl-ammonium CAS Name: cyclohexyl-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]-prop-2-ynylammonium IUPAC Name: cyclohexyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]-prop-2-ynylazanium Traditional Name: cyclohexyl-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-propargyl-ammonium Formula: C25H40N2O3+2 MolecularWeight: 416.5967

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CC#C)C2CCCCC2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CC#C)C2CCCCC2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C25H38N2O3/c1-3-14-27(22-10-6-4-7-11-22)18-21-12-13-24(29-2)25(17-21)30-20-23(28)19-26-15-8-5-9-16-26/h1,12-13,17,22-23,28H,4-11,14-16,18-20H2,2H3/p+2/t23-/m1/s1