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

Systemtic Name: [(3S,4S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(4-methyl-1,4-diazepan-4-ium-1-yl)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-propyl-butyl]ammonium Formula: C13H31N3+2 MolecularWeight: 229.40534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)N1CCC[NH+](CC1)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H29N3/c1-4-7-12(14)13(5-2)16-9-6-8-15(3)10-11-16/h12-13H,4-11,14H2,1-3H3/p+2/t12-,13-/m0/s1