[(2S)-5-methylhexan-2-yl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-(3-pyridylmethyl)ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-(3-pyridylmethyl)ammonium Formula: C13H23N2+ MolecularWeight: 207.33512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+]CC1=CN=CC=C1

InChI

InChI=1S/C13H22N2/c1-11(2)6-7-12(3)15-10-13-5-4-8-14-9-13/h4-5,8-9,11-12,15H,6-7,10H2,1-3H3/p+1/t12-/m0/s1