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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1CC[NH+](CC1)C)O

Isomeric SMILES

C[NH2+]C[C@@H](CN1CC[NH+](CC1)C)O

InChI

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