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

Systemtic Name: [(2S)-3-methyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)propyl]ammonium CAS Name: [(2S)-3-methyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)propyl]ammonium Formula: C11H25N3O+2 MolecularWeight: 215.3357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC[NH+](CC1)C)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[NH+](CC1)C)[NH3+]

InChI

InChI=1S/C11H23N3O/c1-9(2)10(12)11(15)14-6-4-5-13(3)7-8-14/h9-10H,4-8,12H2,1-3H3/p+2/t10-/m0/s1