4-[[3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde

Systemtic Name: 4-[[3-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Openeye Name: 4-[[3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]phenyl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde CAS Name: 4-[[3-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]methyl]-1,4-diazepan-4-ium-1-carboxaldehyde IUPAC Name: 4-[[3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Traditional Name: 4-[3-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]benzyl]-1,4-diazepan-4-ium-1-carbaldehyde Formula: C20H33N3O4+2 MolecularWeight: 379.49372

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C=O)CC2=CC(=CC=C2)OCC(C[NH+]3CCOCC3)O

Isomeric SMILES

C1C[NH+](CCN(C1)C=O)CC2=CC(=CC=C2)OC[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C20H31N3O4/c24-17-23-6-2-5-21(7-8-23)14-18-3-1-4-20(13-18)27-16-19(25)15-22-9-11-26-12-10-22/h1,3-4,13,17,19,25H,2,5-12,14-16H2/p+2/t19-/m0/s1