N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: N-(5-methylisoxazol-3-yl)-3-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O4S/c1-16-15-18(21-27-16)20-19(24)7-9-22-10-12-23(13-11-22)28(25,26)14-8-17-5-3-2-4-6-17/h2-6,8,14-15H,7,9-13H2,1H3,(H,20,21,24)/p+1/b14-8+