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

Systemtic Name: 1-(5-chloranyl-4-methyl-2-pentoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(5-chloro-4-methyl-2-pentoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(5-chloro-4-methyl-2-pentoxyphenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(5-chloro-4-methyl-2-pentoxyphenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(2-amoxy-5-chloro-4-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C17H28ClN2O3S+ MolecularWeight: 375.93382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H27ClN2O3S/c1-4-5-6-11-23-16-12-14(2)15(18)13-17(16)24(21,22)20-9-7-19(3)8-10-20/h12-13H,4-11H2,1-3H3/p+1