4-[1-[(Z)-3-phenylprop-2-enyl]pyridin-1-ium-3-yl]sulfonylmorpholine bromide

Systemtic Name: 4-[1-[(Z)-3-phenylprop-2-enyl]pyridin-1-ium-3-yl]sulfonylmorpholine bromide Openeye Name: 4-[1-[(Z)-cinnamyl]pyridin-1-ium-3-yl]sulfonylmorpholine bromide CAS Name: 4-[[1-[(Z)-3-phenylprop-2-enyl]-3-pyridin-1-iumyl]sulfonyl]morpholine bromide IUPAC Name: 4-[1-[(Z)-3-phenylprop-2-enyl]pyridin-1-ium-3-yl]sulfonylmorpholine bromide Traditional Name: 4-[1-[(Z)-cinnamyl]pyridin-1-ium-3-yl]sulfonylmorpholine bromide Formula: C18H21BrN2O3S MolecularWeight: 425.33994

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C[N+](=CC=C2)CC=CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C[N+](=CC=C2)C/C=C\C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H21N2O3S.BrH/c21-24(22,20-12-14-23-15-13-20)18-9-5-11-19(16-18)10-4-8-17-6-2-1-3-7-17;/h1-9,11,16H,10,12-15H2;1H/q+1;/p-1/b8-4-;