[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-[4-(1-pyrrolidinylsulfonyl)-1H-pyrrol-2-yl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(4-pyrrolidinosulfonyl-1H-pyrrol-2-yl)methanone Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CNC(=C2)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3S/c27-22(21-17-20(18-23-21)30(28,29)26-11-4-5-12-26)25-15-13-24(14-16-25)10-6-9-19-7-2-1-3-8-19/h1-3,6-9,17-18,23H,4-5,10-16H2/p+1/b9-6+