cyclohexyl-[(2S)-3-[3-[(cyclopentylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2S)-3-[3-[(cyclopentylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2S)-3-[3-[(cyclopentylammonio)methyl]phenoxy]-2-hydroxy-propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-3-[3-[(cyclopentylammonio)methyl]phenoxy]-2-hydroxypropyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-3-[3-[(cyclopentylazaniumyl)methyl]phenoxy]-2-hydroxypropyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-3-[3-[(cyclopentylammonio)methyl]phenoxy]-2-hydroxy-propyl]-methyl-ammonium Formula: C22H38N2O2+2 MolecularWeight: 362.54932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC(=C1)C[NH2+]C2CCCC2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC(=C1)C[NH2+]C2CCCC2)O)C3CCCCC3

InChI

InChI=1S/C22H36N2O2/c1-24(20-11-3-2-4-12-20)16-21(25)17-26-22-13-7-8-18(14-22)15-23-19-9-5-6-10-19/h7-8,13-14,19-21,23,25H,2-6,9-12,15-17H2,1H3/p+2/t21-/m0/s1