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

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-cyclohexyl-azanium Openeye Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-cyclohexyl-ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-cyclohexylammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-cyclohexylazanium Traditional Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-cyclohexyl-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+]C2CCCCC2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2CCCCC2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C24H40N2O3/c1-28-23-13-12-20(17-25-21-10-6-5-7-11-21)16-24(23)29-19-22(27)18-26-14-8-3-2-4-9-15-26/h12-13,16,21-22,25,27H,2-11,14-15,17-19H2,1H3/p+2/t22-/m1/s1