1-[4-(cyclooctylamino)pyridin-1-ium-3-yl]sulfonyl-3-ethyl-urea

Systemtic Name: 1-[4-(cyclooctylamino)pyridin-1-ium-3-yl]sulfonyl-3-ethyl-urea Openeye Name: 1-[4-(cyclooctylamino)pyridin-1-ium-3-yl]sulfonyl-3-ethyl-urea CAS Name: 1-[[4-(cyclooctylamino)-3-pyridin-1-iumyl]sulfonyl]-3-ethylurea IUPAC Name: 1-[4-(cyclooctylamino)pyridin-1-ium-3-yl]sulfonyl-3-ethylurea Traditional Name: 1-[4-(cyclooctylamino)pyridin-1-ium-3-yl]sulfonyl-3-ethyl-urea Formula: C16H27N4O3S+ MolecularWeight: 355.47558

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NS(=O)(=O)C1=C(C=C[NH+]=C1)NC2CCCCCCC2

Isomeric SMILES

CCNC(=O)NS(=O)(=O)C1=C(C=C[NH+]=C1)NC2CCCCCCC2

InChI

InChI=1S/C16H26N4O3S/c1-2-18-16(21)20-24(22,23)15-12-17-11-10-14(15)19-13-8-6-4-3-5-7-9-13/h10-13H,2-9H2,1H3,(H,17,19)(H2,18,20,21)/p+1