1-[4-(butylamino)pyridin-1-ium-3-yl]sulfonyl-3-propan-2-yl-urea

Systemtic Name: 1-[4-(butylamino)pyridin-1-ium-3-yl]sulfonyl-3-propan-2-yl-urea Openeye Name: 1-[4-(butylamino)pyridin-1-ium-3-yl]sulfonyl-3-isopropyl-urea CAS Name: 1-[[4-(butylamino)-3-pyridin-1-iumyl]sulfonyl]-3-propan-2-ylurea IUPAC Name: 1-[4-(butylamino)pyridin-1-ium-3-yl]sulfonyl-3-propan-2-ylurea Traditional Name: 1-[4-(butylamino)pyridin-1-ium-3-yl]sulfonyl-3-isopropyl-urea Formula: C13H23N4O3S+ MolecularWeight: 315.41172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1