4-(4-sulfonylpiperazin-4-ium-1-yl)benzenecarboximidamide; 1,3,5-trimethylbenzene

Systemtic Name: 4-(4-sulfonylpiperazin-4-ium-1-yl)benzenecarboximidamide; 1,3,5-trimethylbenzene Openeye Name: mesitylene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzamidine CAS Name: 4-(4-sulfonyl-1-piperazin-4-iumyl)benzenecarboximidamide; 1,3,5-trimethylbenzene IUPAC Name: 4-(4-sulfonylpiperazin-4-ium-1-yl)benzenecarboximidamide; 1,3,5-trimethylbenzene Traditional Name: mesitylene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzamidine Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C)C.C1C[N+](=S(=O)=O)CCN1C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)C)C.C1C[N+](=S(=O)=O)CCN1C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C11H15N4O2S.C9H12/c12-11(13)9-1-3-10(4-2-9)14-5-7-15(8-6-14)18(16)17;1-7-4-8(2)6-9(3)5-7/h1-4H,5-8H2,(H3,12,13);4-6H,1-3H3/q+1;