3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4-morpholinosulfonylphenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(4-morpholinosulfonylphenyl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H33N3O5S/c29-25(27-14-12-26(13-15-27)16-21-33-23-4-2-1-3-5-23)11-8-22-6-9-24(10-7-22)34(30,31)28-17-19-32-20-18-28/h1-7,9-10H,8,11-21H2/p+1