[(2S)-4-methyl-2-(4-propylpiperazin-4-ium-1-yl)pentyl]azanium

Systemtic Name: [(2S)-4-methyl-2-(4-propylpiperazin-4-ium-1-yl)pentyl]azanium Openeye Name: [(2S)-4-methyl-2-(4-propylpiperazin-4-ium-1-yl)pentyl]ammonium CAS Name: [(2S)-4-methyl-2-(4-propyl-1-piperazin-4-iumyl)pentyl]ammonium IUPAC Name: [(2S)-4-methyl-2-(4-propylpiperazin-4-ium-1-yl)pentyl]azanium Traditional Name: [(2S)-4-methyl-2-(4-propylpiperazin-4-ium-1-yl)pentyl]ammonium Formula: C13H31N3+2 MolecularWeight: 229.40534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(CC(C)C)C[NH3+]

Isomeric SMILES

CCC[NH+]1CCN(CC1)[C@@H](CC(C)C)C[NH3+]

InChI

InChI=1S/C13H29N3/c1-4-5-15-6-8-16(9-7-15)13(11-14)10-12(2)3/h12-13H,4-11,14H2,1-3H3/p+2/t13-/m0/s1