dimethyl-[(2S)-2-oxidanyl-3-[4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]propyl]azanium

Systemtic Name: dimethyl-[(2S)-2-oxidanyl-3-[4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]propyl]-dimethyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]propyl]-dimethylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]propyl]-dimethylazanium Traditional Name: [(2S)-2-hydroxy-3-[4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]propyl]-dimethyl-ammonium Formula: C23H35N3O2+2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

C[NH+](C)C[C@@H](COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H33N3O2/c1-24(2)18-22(27)19-28-23-11-9-20(10-12-23)17-25-13-6-14-26(16-15-25)21-7-4-3-5-8-21/h3-5,7-12,22,27H,6,13-19H2,1-2H3/p+2/t22-/m0/s1