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

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(4-morpholinosulfonylphenyl)propan-1-one CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(4-morpholinosulfonylphenyl)propan-1-one Formula: C26H34N3O4S+ MolecularWeight: 484.63086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4S/c30-26(28-17-15-27(16-18-28)14-4-7-23-5-2-1-3-6-23)13-10-24-8-11-25(12-9-24)34(31,32)29-19-21-33-22-20-29/h1-9,11-12H,10,13-22H2/p+1/b7-4+