(2Z)-2-[[1-[(4-bromophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-3H-pyrrolizin-1-one bromide

Systemtic Name: (2Z)-2-[[1-[(4-bromophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-3H-pyrrolizin-1-one bromide Openeye Name: (2Z)-2-[[1-[(4-bromophenyl)methyl]pyridin-1-ium-4-yl]methylene]-3H-pyrrolizin-1-one bromide CAS Name: (2Z)-2-[[1-[(4-bromophenyl)methyl]-4-pyridin-1-iumyl]methylidene]-3H-pyrrolizin-1-one bromide IUPAC Name: (2Z)-2-[[1-[(4-bromophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-3H-pyrrolizin-1-one bromide Traditional Name: (2Z)-2-[[1-(4-bromobenzyl)pyridin-1-ium-4-yl]methylene]-3H-pyrrolizin-1-one bromide Formula: C20H16Br2N2O MolecularWeight: 460.16184

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=[N+](C=C2)CC3=CC=C(C=C3)Br)C(=O)C4=CC=CN41.[Br-]

Isomeric SMILES

C1/C(=C/C2=CC=[N+](C=C2)CC3=CC=C(C=C3)Br)/C(=O)C4=CC=CN41.[Br-]

InChI

InChI=1S/C20H16BrN2O.BrH/c21-18-5-3-16(4-6-18)13-22-10-7-15(8-11-22)12-17-14-23-9-1-2-19(23)20(17)24;/h1-12H,13-14H2;1H/q+1;/p-1/b17-12-;