(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one Formula: C13H28N4O+2 MolecularWeight: 256.38762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC[NH+](CC1)C)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)N1CCC[NH+](CC1)C)N2CC[NH2+]CC2

InChI

InChI=1S/C13H26N4O/c1-12(16-8-4-14-5-9-16)13(18)17-7-3-6-15(2)10-11-17/h12,14H,3-11H2,1-2H3/p+2/t12-/m0/s1