1-[(E)-3-phenylprop-2-enyl]-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C23H32N4O2S+2 MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2S/c28-30(29,27-14-5-2-6-15-27)22-11-12-23(24-20-22)26-18-16-25(17-19-26)13-7-10-21-8-3-1-4-9-21/h1,3-4,7-12,20H,2,5-6,13-19H2/p+2/b10-7+