[(3S,4S)-4-azaniumylheptan-3-yl]-methyl-propan-2-yl-azanium

Systemtic Name: [(3S,4S)-4-azaniumylheptan-3-yl]-methyl-propan-2-yl-azanium Openeye Name: [(1S,2S)-2-azaniumyl-1-ethyl-pentyl]-isopropyl-methyl-ammonium CAS Name: [(3S,4S)-4-ammonioheptan-3-yl]-methyl-propan-2-ylammonium IUPAC Name: [(3S,4S)-4-azaniumylheptan-3-yl]-methyl-propan-2-ylazanium Traditional Name: [(1S,2S)-2-ammonio-1-ethyl-pentyl]-isopropyl-methyl-ammonium Formula: C11H28N2+2 MolecularWeight: 188.35342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H26N2/c1-6-8-10(12)11(7-2)13(5)9(3)4/h9-11H,6-8,12H2,1-5H3/p+2/t10-,11-/m0/s1