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

Systemtic Name: methyl-[(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]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-4-ium-1-yl)propyl]-methyl-ammonium Formula: C10H25N3O+2 MolecularWeight: 203.325

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CCC[NH+](CC1)C)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CCC[NH+](CC1)C)O

InChI

InChI=1S/C10H23N3O/c1-11-8-10(14)9-13-5-3-4-12(2)6-7-13/h10-11,14H,3-9H2,1-2H3/p+2/t10-/m0/s1