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

Systemtic Name: cyclohexyl-methyl-[(2S)-3-[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium Formula: C23H41N3O2+2 MolecularWeight: 391.59054

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)OCC(C[NH+](C)C3CCCCC3)O

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)OC[C@H](C[NH+](C)C3CCCCC3)O

InChI

InChI=1S/C23H39N3O2/c1-24-12-7-13-26(15-14-24)17-20-8-6-11-23(16-20)28-19-22(27)18-25(2)21-9-4-3-5-10-21/h6,8,11,16,21-22,27H,3-5,7,9-10,12-15,17-19H2,1-2H3/p+2/t22-/m0/s1