1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-chlorobenzyl)-4-p-phenetylsulfonyl-piperazin-1-ium Formula: C19H24ClN2O3S+ MolecularWeight: 395.92346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H23ClN2O3S/c1-2-25-18-6-8-19(9-7-18)26(23,24)22-12-10-21(11-13-22)15-16-4-3-5-17(20)14-16/h3-9,14H,2,10-13,15H2,1H3/p+1