1-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperazin-4-ium

Systemtic Name: 1-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperazin-4-ium Openeye Name: 1-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperazin-4-ium CAS Name: 1-[2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl]piperazin-4-ium IUPAC Name: 1-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperazin-4-ium Traditional Name: 1-[2-(4-pyrrolidinosulfonylphenyl)ethyl]piperazin-4-ium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCN3CC[NH2+]CC3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCN3CC[NH2+]CC3

InChI

InChI=1S/C16H25N3O2S/c20-22(21,19-10-1-2-11-19)16-5-3-15(4-6-16)7-12-18-13-8-17-9-14-18/h3-6,17H,1-2,7-14H2/p+1