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

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-phenoxyphenyl)methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3-phenoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-(3-phenoxybenzyl)-4-propylsulfonyl-piperazin-1-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-2-15-26(23,24)22-13-11-21(12-14-22)17-18-7-6-10-20(16-18)25-19-8-4-3-5-9-19/h3-10,16H,2,11-15,17H2,1H3/p+1