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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[3-[(thiophen-3-ylmethylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(3-thienylmethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(3-thiophenylmethylammonio)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(thiophen-3-ylmethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(3-thenylammonio)methyl]phenoxy]propyl]-methyl-ammonium Formula: C22H34N2O2S+2 MolecularWeight: 390.58256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC(=C1)C[NH2+]CC2=CSC=C2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC(=C1)C[NH2+]CC2=CSC=C2)O)C3CCCCC3

InChI

InChI=1S/C22H32N2O2S/c1-24(20-7-3-2-4-8-20)15-21(25)16-26-22-9-5-6-18(12-22)13-23-14-19-10-11-27-17-19/h5-6,9-12,17,20-21,23,25H,2-4,7-8,13-16H2,1H3/p+2/t21-/m0/s1