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

Systemtic Name: [(2S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]ammonium Formula: C9H23N3O+2 MolecularWeight: 189.29842

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC(C[NH3+])O

Isomeric SMILES

C[NH+]1CCCN(CC1)C[C@H](C[NH3+])O

InChI

InChI=1S/C9H21N3O/c1-11-3-2-4-12(6-5-11)8-9(13)7-10/h9,13H,2-8,10H2,1H3/p+2/t9-/m0/s1