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

Systemtic Name: (2Z)-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methylidene]-3H-pyrrolizin-1-one bromide Openeye Name: (2Z)-2-[(1-benzylpyridin-1-ium-4-yl)methylene]-3H-pyrrolizin-1-one bromide CAS Name: (2Z)-2-[[1-(phenylmethyl)-4-pyridin-1-iumyl]methylidene]-3H-pyrrolizin-1-one bromide IUPAC Name: (2Z)-2-[(1-benzylpyridin-1-ium-4-yl)methylidene]-3H-pyrrolizin-1-one bromide Traditional Name: (2Z)-2-[(1-benzylpyridin-1-ium-4-yl)methylene]-3H-pyrrolizin-1-one bromide Formula: C20H17BrN2O MolecularWeight: 381.26578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N2O.BrH/c23-20-18(15-22-10-4-7-19(20)22)13-16-8-11-21(12-9-16)14-17-5-2-1-3-6-17;/h1-13H,14-15H2;1H/q+1;/p-1/b18-13-;