1-(5-chloranyl-2-ethoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(5-chloranyl-2-ethoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(5-chloro-2-ethoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(5-chloro-2-ethoxy-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C14H22ClN2O3S+ MolecularWeight: 333.85408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H21ClN2O3S/c1-4-20-13-9-11(2)12(15)10-14(13)21(18,19)17-7-5-16(3)6-8-17/h9-10H,4-8H2,1-3H3/p+1