N'-propan-2-yl-N-[4-(prop-2-ynylamino)pyridin-1-ium-3-yl]sulfonyl-carbamimidate

Systemtic Name: N'-propan-2-yl-N-[4-(prop-2-ynylamino)pyridin-1-ium-3-yl]sulfonyl-carbamimidate Openeye Name: N'-isopropyl-N-[4-(prop-2-ynylamino)pyridin-1-ium-3-yl]sulfonyl-carbamimidate CAS Name: N'-propan-2-yl-N-[[4-(prop-2-ynylamino)-3-pyridin-1-iumyl]sulfonyl]carbamimidate IUPAC Name: N'-propan-2-yl-N-[4-(prop-2-ynylamino)pyridin-1-ium-3-yl]sulfonylcarbamimidate Traditional Name: N'-isopropyl-N-[4-(propargylamino)pyridin-1-ium-3-yl]sulfonyl-carbamimidate Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(NS(=O)(=O)C1=C(C=C[NH+]=C1)NCC#C)[O-]

Isomeric SMILES

CC(C)N=C(NS(=O)(=O)C1=C(C=C[NH+]=C1)NCC#C)[O-]

InChI

InChI=1S/C12H16N4O3S/c1-4-6-14-10-5-7-13-8-11(10)20(18,19)16-12(17)15-9(2)3/h1,5,7-9H,6H2,2-3H3,(H,13,14)(H2,15,16,17)