1-phenethyl-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-phenethyl-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-phenethyl-piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-phenethylpiperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-phenethylpiperazin-4-ium Traditional Name: 1-besyl-4-phenethyl-piperazin-4-ium Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2O2S/c21-23(22,18-9-5-2-6-10-18)20-15-13-19(14-16-20)12-11-17-7-3-1-4-8-17/h1-10H,11-16H2/p+1