1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-phenoxypropyl)piperazin-4-ium Formula: C21H29N2O5S+ MolecularWeight: 421.53036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CCCOC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O5S/c1-26-19-9-10-20(27-2)21(17-19)29(24,25)23-14-12-22(13-15-23)11-6-16-28-18-7-4-3-5-8-18/h3-5,7-10,17H,6,11-16H2,1-2H3/p+1