3,5-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S/c1-15-18(16(2)24-19-15)25(22,23)21-13-11-20(12-14-21)10-6-9-17-7-4-3-5-8-17/h3-9H,10-14H2,1-2H3/p+1/b9-6+