heptan-4-yl(pyridin-3-ylmethyl)azanium

Systemtic Name: heptan-4-yl(pyridin-3-ylmethyl)azanium Openeye Name: 1-propylbutyl(3-pyridylmethyl)ammonium CAS Name: heptan-4-yl(3-pyridinylmethyl)ammonium IUPAC Name: heptan-4-yl(pyridin-3-ylmethyl)azanium Traditional Name: 1-propylbutyl(3-pyridylmethyl)ammonium Formula: C13H23N2+ MolecularWeight: 207.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]CC1=CN=CC=C1

Isomeric SMILES

CCCC(CCC)[NH2+]CC1=CN=CC=C1

InChI

InChI=1S/C13H22N2/c1-3-6-13(7-4-2)15-11-12-8-5-9-14-10-12/h5,8-10,13,15H,3-4,6-7,11H2,1-2H3/p+1