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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2CCCCC2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2CCCCC2)OC[C@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H36N2O3/c1-26-22-13-19(15-23-14-18-7-3-2-4-8-18)9-10-21(22)27-17-20(25)16-24-11-5-6-12-24/h9-10,13,18,20,23,25H,2-8,11-12,14-17H2,1H3/p+2/t20-/m0/s1