1-chloranyl-2-methyl-benzene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzenecarboximidamide

Systemtic Name: 1-chloranyl-2-methyl-benzene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzenecarboximidamide Openeye Name: 1-chloro-2-methyl-benzene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzamidine CAS Name: 1-chloro-2-methylbenzene; 4-(4-sulfonyl-1-piperazin-4-iumyl)benzenecarboximidamide IUPAC Name: 1-chloro-2-methylbenzene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzenecarboximidamide Traditional Name: 1-chloro-2-methyl-benzene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzamidine Formula: C18H22ClN4O2S+ MolecularWeight: 393.91088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1Cl.C1C[N+](=S(=O)=O)CCN1C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC1=CC=CC=C1Cl.C1C[N+](=S(=O)=O)CCN1C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C11H15N4O2S.C7H7Cl/c12-11(13)9-1-3-10(4-2-9)14-5-7-15(8-6-14)18(16)17;1-6-4-2-3-5-7(6)8/h1-4H,5-8H2,(H3,12,13);2-5H,1H3/q+1;