N-[3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]methanesulfonamide CAS Name: N-[3-[1-oxido-2-[(E)-prop-1-enyl]-1-imidazol-1-iumyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]methanesulfonamide Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=NC=C[N+]1(C2=CC=CC(=C2)NS(=O)(=O)C)[O-]

Isomeric SMILES

C/C=C/C1=NC=C[N+]1(C2=CC=CC(=C2)NS(=O)(=O)C)[O-]

InChI

InChI=1S/C13H15N3O3S/c1-3-5-13-14-8-9-16(13,17)12-7-4-6-11(10-12)15-20(2,18)19/h3-10,15H,1-2H3/b5-3+