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

Systemtic Name: N-[4-(butylamino)pyridin-1-ium-3-yl]sulfonyl-N'-propan-2-yl-carbamimidate Openeye Name: N-[4-(butylamino)pyridin-1-ium-3-yl]sulfonyl-N'-isopropyl-carbamimidate CAS Name: N-[[4-(butylamino)-3-pyridin-1-iumyl]sulfonyl]-N'-propan-2-ylcarbamimidate IUPAC Name: N-[4-(butylamino)pyridin-1-ium-3-yl]sulfonyl-N'-propan-2-ylcarbamimidate Traditional Name: N-[4-(butylamino)pyridin-1-ium-3-yl]sulfonyl-N'-isopropyl-carbamimidate Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=[NH+]C=C1)S(=O)(=O)NC(=NC(C)C)[O-]

Isomeric SMILES

CCCCNC1=C(C=[NH+]C=C1)S(=O)(=O)NC(=NC(C)C)[O-]

InChI

InChI=1S/C13H22N4O3S/c1-4-5-7-15-11-6-8-14-9-12(11)21(19,20)17-13(18)16-10(2)3/h6,8-10H,4-5,7H2,1-3H3,(H,14,15)(H2,16,17,18)