heptan-4-yl(3-imidazol-1-ylpropyl)azanium

Systemtic Name: heptan-4-yl(3-imidazol-1-ylpropyl)azanium Openeye Name: 3-imidazol-1-ylpropyl(1-propylbutyl)ammonium CAS Name: heptan-4-yl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: heptan-4-yl(3-imidazol-1-ylpropyl)azanium Traditional Name: 3-imidazol-1-ylpropyl(1-propylbutyl)ammonium Formula: C13H26N3+ MolecularWeight: 224.36564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]CCCN1C=CN=C1

Isomeric SMILES

CCCC(CCC)[NH2+]CCCN1C=CN=C1

InChI

InChI=1S/C13H25N3/c1-3-6-13(7-4-2)15-8-5-10-16-11-9-14-12-16/h9,11-13,15H,3-8,10H2,1-2H3/p+1