N5-[(3S)-octan-3-yl]pyridin-1-ium-2,5-diamine

Systemtic Name: N5-[(3S)-octan-3-yl]pyridin-1-ium-2,5-diamine Openeye Name: N5-[(1S)-1-ethylhexyl]pyridin-1-ium-2,5-diamine CAS Name: N5-[(3S)-octan-3-yl]pyridin-1-ium-2,5-diamine IUPAC Name: 5-N-[(3S)-octan-3-yl]pyridin-1-ium-2,5-diamine Traditional Name: (6-aminopyridin-1-ium-3-yl)-[(1S)-1-ethylhexyl]amine Formula: C13H24N3+ MolecularWeight: 222.34976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC1=C[NH+]=C(C=C1)N

Isomeric SMILES

CCCCC[C@H](CC)NC1=C[NH+]=C(C=C1)N

InChI

InChI=1S/C13H23N3/c1-3-5-6-7-11(4-2)16-12-8-9-13(14)15-10-12/h8-11,16H,3-7H2,1-2H3,(H2,14,15)/p+1/t11-/m0/s1