(5-chloranyl-2-oxidanyl-phenyl)-[5-(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)-1H-pyrrol-3-yl]methanone

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)-[5-(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)-1H-pyrrol-3-yl]methanone Openeye Name: (5-chloro-2-hydroxy-phenyl)-[5-(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)-1H-pyrrol-3-yl]methanone CAS Name: (5-chloro-2-hydroxyphenyl)-[5-[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]-1H-pyrrol-3-yl]methanone IUPAC Name: (5-chloro-2-hydroxyphenyl)-[5-(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)-1H-pyrrol-3-yl]methanone Traditional Name: (5-chloro-2-hydroxy-phenyl)-[5-(2-pyrrolidinopyridin-1-ium-4-yl)-1H-pyrrol-3-yl]methanone Formula: C20H19ClN3O2+ MolecularWeight: 368.83676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)C3=CC(=CN3)C(=O)C4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)C3=CC(=CN3)C(=O)C4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C20H18ClN3O2/c21-15-3-4-18(25)16(11-15)20(26)14-9-17(23-12-14)13-5-6-22-19(10-13)24-7-1-2-8-24/h3-6,9-12,23,25H,1-2,7-8H2/p+1