5-[(3S)-heptan-3-yl]-3-methyl-pyridin-1-ium-2-amine

Systemtic Name: 5-[(3S)-heptan-3-yl]-3-methyl-pyridin-1-ium-2-amine Openeye Name: 5-[(1S)-1-ethylpentyl]-3-methyl-pyridin-1-ium-2-amine CAS Name: 5-[(3S)-heptan-3-yl]-3-methyl-2-pyridin-1-iumamine IUPAC Name: 5-[(3S)-heptan-3-yl]-3-methylpyridin-1-ium-2-amine Traditional Name: [5-[(1S)-1-ethylpentyl]-3-methyl-pyridin-1-ium-2-yl]amine Formula: C13H23N2+ MolecularWeight: 207.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=CC(=C([NH+]=C1)N)C

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2/c1-4-6-7-11(5-2)12-8-10(3)13(14)15-9-12/h8-9,11H,4-7H2,1-3H3,(H2,14,15)/p+1/t11-/m0/s1