[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-(3-pyrrolidinosulfonylphenyl)methanone Formula: C24H32N3O5S+ MolecularWeight: 474.59298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H31N3O5S/c1-31-21-7-9-22(10-8-21)32-18-17-25-13-15-26(16-14-25)24(28)20-5-4-6-23(19-20)33(29,30)27-11-2-3-12-27/h4-10,19H,2-3,11-18H2,1H3/p+1