benzene; 1-chloranyl-3-(4-sulfonylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: benzene; 1-chloranyl-3-(4-sulfonylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: benzene; 1-chloro-3-(4-sulfonylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: benzene; 1-chloro-3-(4-sulfonyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: benzene; 1-chloro-3-(4-sulfonylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: benzene; 1-chloro-3-(4-sulfonylpiperazin-4-ium-1-yl)propan-2-ol Formula: C13H20ClN2O3S+ MolecularWeight: 319.8275

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=S(=O)=O)CCN1CC(CCl)O.C1=CC=CC=C1

Isomeric SMILES

C1C[N+](=S(=O)=O)CCN1CC(CCl)O.C1=CC=CC=C1

InChI

InChI=1S/C7H14ClN2O3S.C6H6/c8-5-7(11)6-9-1-3-10(4-2-9)14(12)13;1-2-4-6-5-3-1/h7,11H,1-6H2;1-6H/q+1;