[(1S)-2-azaniumyl-1-pyridin-4-yl-ethyl]-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-pyridin-4-yl-ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-pyridyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-pyridin-4-ylethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-pyridin-4-ylethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(4-pyridyl)ethyl]-butyl-ethyl-ammonium Formula: C13H25N3+2 MolecularWeight: 223.3577

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C[NH3+])C1=CC=NC=C1

Isomeric SMILES

CCCC[NH+](CC)[C@H](C[NH3+])C1=CC=NC=C1

InChI

InChI=1S/C13H23N3/c1-3-5-10-16(4-2)13(11-14)12-6-8-15-9-7-12/h6-9,13H,3-5,10-11,14H2,1-2H3/p+2/t13-/m1/s1