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

Systemtic Name: 3-cyclopentylpropyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 3-cyclopentylpropyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 3-cyclopentylpropyl-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 3-cyclopentylpropyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 3-cyclopentylpropyl-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C24H42N2O3+2 MolecularWeight: 406.60188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCCC2CCCC2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCCC2CCCC2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C24H40N2O3/c1-28-23-12-11-21(17-25-13-7-10-20-8-3-4-9-20)16-24(23)29-19-22(27)18-26-14-5-2-6-15-26/h11-12,16,20,22,25,27H,2-10,13-15,17-19H2,1H3/p+2/t22-/m1/s1