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

Systemtic Name: [(2S)-3-[3-[(cyclobutylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-cyclohexyl-methyl-azanium Openeye Name: [(2S)-3-[3-[(cyclobutylammonio)methyl]phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: [(2S)-3-[3-[(cyclobutylammonio)methyl]phenoxy]-2-hydroxypropyl]-cyclohexyl-methylammonium IUPAC Name: [(2S)-3-[3-[(cyclobutylazaniumyl)methyl]phenoxy]-2-hydroxypropyl]-cyclohexyl-methylazanium Traditional Name: [(2S)-3-[3-[(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(=C1)C[NH2+]C2CCC2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC(=C1)C[NH2+]C2CCC2)O)C3CCCCC3

InChI

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