8-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione

Systemtic Name: 8-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione Openeye Name: 8-methyl-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione CAS Name: 8-methyl-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione IUPAC Name: 8-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,4-diazaspiro[4.5]decane-1,3-dione Traditional Name: 8-methyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]-2,4-diazaspiro[4.5]decane-1,3-quinone Formula: C21H31N4O4S+ MolecularWeight: 435.56024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CC1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCC2(CC1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H30N4O4S/c1-16-3-5-18(6-4-16)30(28,29)24-13-11-23(12-14-24)15-25-19(26)21(22-20(25)27)9-7-17(2)8-10-21/h3-6,17H,7-15H2,1-2H3,(H,22,27)/p+1