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

Systemtic Name: cyclohexyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: cyclohexyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: cyclohexyl-[[4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: cyclohexyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: cyclohexyl-[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C21H36N2O3+2 MolecularWeight: 364.52214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCCC2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCCC2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C21H34N2O3/c1-25-21-13-17(14-22-18-7-3-2-4-8-18)9-10-20(21)26-16-19(24)15-23-11-5-6-12-23/h9-10,13,18-19,22,24H,2-8,11-12,14-16H2,1H3/p+2/t19-/m1/s1