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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-pyridin-4-yl-1-piperidin-1-iumyl)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]phenoxy]propyl]-methyl-ammonium Formula: C27H41N3O2+2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH+]2CCC(CC2)C3=CC=NC=C3)O)C4CCCCC4

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH+]2CCC(CC2)C3=CC=NC=C3)O)C4CCCCC4

InChI

InChI=1S/C27H39N3O2/c1-29(25-8-3-2-4-9-25)20-26(31)21-32-27-10-6-5-7-24(27)19-30-17-13-23(14-18-30)22-11-15-28-16-12-22/h5-7,10-12,15-16,23,25-26,31H,2-4,8-9,13-14,17-21H2,1H3/p+2/t26-/m0/s1