(1E)-3-(pyridin-3-ylmethylamino)-N-(trimethylazaniumyl)propanimidate

Systemtic Name: (1E)-3-(pyridin-3-ylmethylamino)-N-(trimethylazaniumyl)propanimidate Openeye Name: (1E)-3-(3-pyridylmethylamino)-N-(trimethylammonio)propanimidate CAS Name: (1E)-3-(3-pyridinylmethylamino)-N-(trimethylammonio)propanimidate IUPAC Name: (1E)-3-(pyridin-3-ylmethylamino)-N-(trimethylazaniumyl)propanimidate Traditional Name: (1E)-3-(3-pyridylmethylamino)-N-(trimethylammonio)propionimidate Formula: C12H20N4O MolecularWeight: 236.3134

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)N=C(CCNCC1=CN=CC=C1)[O-]

Isomeric SMILES

C[N+](C)(C)/N=C(\CCNCC1=CN=CC=C1)/[O-]

InChI

InChI=1S/C12H20N4O/c1-16(2,3)15-12(17)6-8-14-10-11-5-4-7-13-9-11/h4-5,7,9,14H,6,8,10H2,1-3H3