1-[4-[3-[(E)-2-(1-oxidanylpyridin-1-ium-2-yl)ethenyl]phenyl]but-3-yn-2-yl]urea

Systemtic Name: 1-[4-[3-[(E)-2-(1-oxidanylpyridin-1-ium-2-yl)ethenyl]phenyl]but-3-yn-2-yl]urea Openeye Name: [3-[3-[(E)-2-(1-hydroxypyridin-1-ium-2-yl)vinyl]phenyl]-1-methyl-prop-2-ynyl]urea CAS Name: 4-[3-[(E)-2-(1-hydroxy-2-pyridin-1-iumyl)ethenyl]phenyl]but-3-yn-2-ylurea IUPAC Name: 4-[3-[(E)-2-(1-hydroxypyridin-1-ium-2-yl)ethenyl]phenyl]but-3-yn-2-ylurea Traditional Name: [3-[3-[(E)-2-(1-hydroxypyridin-1-ium-2-yl)vinyl]phenyl]-1-methyl-prop-2-ynyl]urea Formula: C18H18N3O2+ MolecularWeight: 308.35442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=CC=C1)C=CC2=CC=CC=[N+]2O)NC(=O)N

Isomeric SMILES

CC(C#CC1=CC(=CC=C1)/C=C/C2=CC=CC=[N+]2O)NC(=O)N

InChI

InChI=1S/C18H17N3O2/c1-14(20-18(19)22)8-9-15-5-4-6-16(13-15)10-11-17-7-2-3-12-21(17)23/h2-7,10-14H,1H3,(H3-,19,20,22,23)/p+1/b11-10+