cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(quinolin-6-ylmethylazaniumyl)methyl]phenoxy]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(quinolin-6-ylmethylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(6-quinolylmethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(6-quinolinylmethylammonio)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(quinolin-6-ylmethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(6-quinolylmethylammonio)methyl]phenoxy]propyl]-methyl-ammonium Formula: C27H37N3O2+2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH2+]CC2=CC3=C(C=C2)N=CC=C3)O)C4CCCCC4

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH2+]CC2=CC3=C(C=C2)N=CC=C3)O)C4CCCCC4

InChI

InChI=1S/C27H35N3O2/c1-30(24-10-3-2-4-11-24)19-25(31)20-32-27-12-6-5-8-23(27)18-28-17-21-13-14-26-22(16-21)9-7-15-29-26/h5-9,12-16,24-25,28,31H,2-4,10-11,17-20H2,1H3/p+2/t25-/m0/s1