1-(anthracen-9-ylmethyl)pyridin-1-ium iodide hydrate

Systemtic Name: 1-(anthracen-9-ylmethyl)pyridin-1-ium iodide hydrate Openeye Name: 1-(9-anthrylmethyl)pyridin-1-ium iodide hydrate CAS Name: 1-(9-anthracenylmethyl)pyridin-1-ium iodide hydrate IUPAC Name: 1-(anthracen-9-ylmethyl)pyridin-1-ium iodide hydrate Traditional Name: 1-(9-anthrylmethyl)pyridin-1-ium iodide hydrate Formula: C20H18INO MolecularWeight: 415.26749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=C3C=CC=CC3=CC4=CC=CC=C42.O.[I-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=C3C=CC=CC3=CC4=CC=CC=C42.O.[I-]

InChI

InChI=1S/C20H16N.HI.H2O/c1-6-12-21(13-7-1)15-20-18-10-4-2-8-16(18)14-17-9-3-5-11-19(17)20;;/h1-14H,15H2;1H;1H2/q+1;;/p-1