1-[4-(1,3-dimethyl-2-pyridin-3-yl-indol-1-ium-1-yl)but-3-ynyl]-1-oxidanyl-urea

Systemtic Name: 1-[4-(1,3-dimethyl-2-pyridin-3-yl-indol-1-ium-1-yl)but-3-ynyl]-1-oxidanyl-urea Openeye Name: 1-[4-[1,3-dimethyl-2-(3-pyridyl)indol-1-ium-1-yl]but-3-ynyl]-1-hydroxy-urea CAS Name: 1-[4-[1,3-dimethyl-2-(3-pyridinyl)-1-indol-1-iumyl]but-3-ynyl]-1-hydroxyurea IUPAC Name: 1-[4-(1,3-dimethyl-2-pyridin-3-ylindol-1-ium-1-yl)but-3-ynyl]-1-hydroxyurea Traditional Name: 1-[4-[1,3-dimethyl-2-(3-pyridyl)indol-1-ium-1-yl]but-3-ynyl]-1-hydroxy-urea Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](C2=CC=CC=C12)(C)C#CCCN(C(=O)N)O)C3=CN=CC=C3

Isomeric SMILES

CC1=C([N+](C2=CC=CC=C12)(C)C#CCCN(C(=O)N)O)C3=CN=CC=C3

InChI

InChI=1S/C20H20N4O2/c1-15-17-9-3-4-10-18(17)24(2,13-6-5-12-23(26)20(21)25)19(15)16-8-7-11-22-14-16/h3-4,7-11,14,26H,5,12H2,1-2H3,(H-,21,25)/p+1