1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-3-(phenylmethyl)-1,3-diazinan-3-ium

Systemtic Name: 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-3-(phenylmethyl)-1,3-diazinan-3-ium Openeye Name: 1-benzyl-3-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]sulfonyl-hexahydropyrimidin-1-ium CAS Name: 1-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]sulfonyl-3-(phenylmethyl)-1,3-diazinan-3-ium IUPAC Name: 1-benzyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-1,3-diazinan-1-ium Traditional Name: 1-benzyl-3-[4-(4-methylpiperidino)sulfonylphenyl]sulfonyl-hexahydropyrimidin-1-ium Formula: C23H32N3O4S2+ MolecularWeight: 478.64788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O4S2/c1-20-12-16-25(17-13-20)31(27,28)22-8-10-23(11-9-22)32(29,30)26-15-5-14-24(19-26)18-21-6-3-2-4-7-21/h2-4,6-11,20H,5,12-19H2,1H3/p+1