[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[(3S)-1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C23H30N3O3S2+ MolecularWeight: 460.6326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S2/c27-23(21-10-5-13-26(19-21)31(28,29)22-11-6-18-30-22)25-16-14-24(15-17-25)12-4-9-20-7-2-1-3-8-20/h1-4,6-9,11,18,21H,5,10,12-17,19H2/p+1/b9-4+/t21-/m0/s1