4-chloranyl-1-heptyl-N,6-dimethyl-pyrimidin-1-ium-2-amine

Systemtic Name: 4-chloranyl-1-heptyl-N,6-dimethyl-pyrimidin-1-ium-2-amine Openeye Name: 4-chloro-1-heptyl-N,6-dimethyl-pyrimidin-1-ium-2-amine CAS Name: 4-chloro-1-heptyl-N,6-dimethyl-2-pyrimidin-1-iumamine IUPAC Name: 4-chloro-1-heptyl-N,6-dimethylpyrimidin-1-ium-2-amine Traditional Name: (4-chloro-1-heptyl-6-methyl-pyrimidin-1-ium-2-yl)-methyl-amine Formula: C13H23ClN3+ MolecularWeight: 256.79482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(N=C(C=C1C)Cl)NC

Isomeric SMILES

CCCCCCC[N+]1=C(N=C(C=C1C)Cl)NC

InChI

InChI=1S/C13H22ClN3/c1-4-5-6-7-8-9-17-11(2)10-12(14)16-13(17)15-3/h10H,4-9H2,1-3H3/p+1