1-[3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 2-piperidin-1-ium-1-yl-1-[3-(p-tolylsulfonyl)hexahydropyrimidin-1-yl]ethanone CAS Name: 1-[3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 2-piperidin-1-ium-1-yl-1-(3-tosylhexahydropyrimidin-1-yl)ethanone Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C2)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C2)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C18H27N3O3S/c1-16-6-8-17(9-7-16)25(23,24)21-13-5-12-20(15-21)18(22)14-19-10-3-2-4-11-19/h6-9H,2-5,10-15H2,1H3/p+1