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

Systemtic Name: [(2S)-3-[2-[(cyclobutylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium Openeye Name: [(2S)-3-[2-[(cyclobutylammonio)methyl]phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: [(2S)-3-[2-[(cyclobutylammonio)methyl]phenoxy]-2-hydroxypropyl]-cyclohexyl-methylammonium IUPAC Name: [(2S)-3-[2-[(cyclobutylazaniumyl)methyl]phenoxy]-2-hydroxypropyl]-cyclohexyl-methylazanium Traditional Name: [(2S)-3-[2-[(cyclobutylammonio)methyl]phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C21H36N2O2+2 MolecularWeight: 348.52274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH2+]C2CCC2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH2+]C2CCC2)O)C3CCCCC3

InChI

InChI=1S/C21H34N2O2/c1-23(19-11-3-2-4-12-19)15-20(24)16-25-21-13-6-5-8-17(21)14-22-18-9-7-10-18/h5-6,8,13,18-20,22,24H,2-4,7,9-12,14-16H2,1H3/p+2/t20-/m0/s1