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

Systemtic Name: cycloheptyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: cycloheptyl-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: cycloheptyl-[[3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: cycloheptyl-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: cycloheptyl-[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C22H38N2O3+2 MolecularWeight: 378.54872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCCCCC2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2CCCCCC2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H36N2O3/c1-26-21-11-10-18(15-23-19-8-4-2-3-5-9-19)14-22(21)27-17-20(25)16-24-12-6-7-13-24/h10-11,14,19-20,23,25H,2-9,12-13,15-17H2,1H3/p+2/t20-/m1/s1