(1E)-4-(diethylamino)-N-pyridin-1-ium-1-yl-butanimidate

Systemtic Name: (1E)-4-(diethylamino)-N-pyridin-1-ium-1-yl-butanimidate Openeye Name: (1E)-4-(diethylamino)-N-pyridin-1-ium-1-yl-butanimidate CAS Name: (1E)-4-(diethylamino)-N-(1-pyridin-1-iumyl)butanimidate IUPAC Name: (1E)-4-(diethylamino)-N-pyridin-1-ium-1-ylbutanimidate Traditional Name: (1E)-4-(diethylamino)-N-pyridin-1-ium-1-yl-butyrimidate Formula: C13H21N3O MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)CCC/C(=N\[N+]1=CC=CC=C1)/[O-]

InChI

InChI=1S/C13H21N3O/c1-3-15(4-2)10-8-9-13(17)14-16-11-6-5-7-12-16/h5-7,11-12H,3-4,8-10H2,1-2H3