[(3S,4S)-3-(4-methylpiperazin-4-ium-1-yl)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(4-methylpiperazin-4-ium-1-yl)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(4-methylpiperazin-4-ium-1-yl)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(4-methyl-1-piperazin-4-iumyl)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(4-methylpiperazin-4-ium-1-yl)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(4-methylpiperazin-4-ium-1-yl)-1-propyl-butyl]ammonium Formula: C12H29N3+2 MolecularWeight: 215.37876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)N1CC[NH+](CC1)C)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)N1CC[NH+](CC1)C)[NH3+]

InChI

InChI=1S/C12H27N3/c1-4-6-11(13)12(5-2)15-9-7-14(3)8-10-15/h11-12H,4-10,13H2,1-3H3/p+2/t11-,12-/m0/s1