1-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Openeye Name: 1-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium CAS Name: 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium IUPAC Name: 1-(2-methoxy-5-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Traditional Name: 1-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S/c1-17-8-9-19(25-2)20(16-17)27(23,24)22-12-10-21(11-13-22)14-15-26-18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3/p+1