1-ethylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-ethylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-ethylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-ethylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-ethylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-esyl-4-(3-phenoxybenzyl)piperazin-4-ium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O3S/c1-2-25(22,23)21-13-11-20(12-14-21)16-17-7-6-10-19(15-17)24-18-8-4-3-5-9-18/h3-10,15H,2,11-14,16H2,1H3/p+1