cyclohexyl-[[3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]-prop-2-ynyl-azanium

Systemtic Name: cyclohexyl-[[3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]-prop-2-ynyl-azanium Openeye Name: cyclohexyl-[[3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl]-prop-2-ynyl-ammonium CAS Name: cyclohexyl-[[3-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl]-prop-2-ynylammonium IUPAC Name: cyclohexyl-[[3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl]-prop-2-ynylazanium Traditional Name: cyclohexyl-[3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-propargyl-ammonium Formula: C23H36N2O3+2 MolecularWeight: 388.54354

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[NH+](CC1=CC(=CC=C1)OCC(C[NH+]2CCOCC2)O)C3CCCCC3

Isomeric SMILES

C#CC[NH+](CC1=CC(=CC=C1)OC[C@H](C[NH+]2CCOCC2)O)C3CCCCC3

InChI

InChI=1S/C23H34N2O3/c1-2-11-25(21-8-4-3-5-9-21)17-20-7-6-10-23(16-20)28-19-22(26)18-24-12-14-27-15-13-24/h1,6-7,10,16,21-22,26H,3-5,8-9,11-15,17-19H2/p+2/t22-/m0/s1