2-hydroxyethyl-methyl-[(2S)-3-methyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[(2S)-3-methyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]azanium Openeye Name: 2-hydroxyethyl-methyl-[(1S)-2-methyl-1-(piperazine-1-carbonyl)propyl]ammonium CAS Name: 2-hydroxyethyl-methyl-[(2S)-3-methyl-1-oxo-1-(1-piperazinyl)butan-2-yl]ammonium IUPAC Name: 2-hydroxyethyl-methyl-[(2S)-3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl]azanium Traditional Name: 2-hydroxyethyl-methyl-[(1S)-2-methyl-1-(piperazine-1-carbonyl)propyl]ammonium Formula: C12H26N3O2+ MolecularWeight: 244.35374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCNCC1)[NH+](C)CCO

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCNCC1)[NH+](C)CCO

InChI

InChI=1S/C12H25N3O2/c1-10(2)11(14(3)8-9-16)12(17)15-6-4-13-5-7-15/h10-11,13,16H,4-9H2,1-3H3/p+1/t11-/m0/s1