(2S)-2-azanyl-3-(1-methylpyridin-1-ium-3-yl)propanimidate

Systemtic Name: (2S)-2-azanyl-3-(1-methylpyridin-1-ium-3-yl)propanimidate Openeye Name: (2S)-2-amino-3-(1-methylpyridin-1-ium-3-yl)propanimidate CAS Name: (2S)-2-amino-3-(1-methyl-3-pyridin-1-iumyl)propanimidate IUPAC Name: (2S)-2-amino-3-(1-methylpyridin-1-ium-3-yl)propanimidate Traditional Name: (2S)-2-amino-3-(1-methylpyridin-1-ium-3-yl)propionimidate Formula: C9H13N3O MolecularWeight: 179.21902

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC(C(=N)[O-])N

Isomeric SMILES

C[N+]1=CC=CC(=C1)C[C@@H](C(=N)[O-])N

InChI

InChI=1S/C9H13N3O/c1-12-4-2-3-7(6-12)5-8(10)9(11)13/h2-4,6,8H,5,10H2,1H3,(H-,11,13)/t8-/m0/s1