1-methyl-4-[1-(1-methylpyridin-1-ium-4-yl)cyclopenta[l]phenanthren-3-ylidene]pyridine iodide

Systemtic Name: 1-methyl-4-[1-(1-methylpyridin-1-ium-4-yl)cyclopenta[l]phenanthren-3-ylidene]pyridine iodide Openeye Name: 1-methyl-4-[1-(1-methylpyridin-1-ium-4-yl)cyclopenta[l]phenanthren-3-ylidene]pyridine iodide CAS Name: 1-methyl-4-[1-(1-methyl-4-pyridin-1-iumyl)-3-cyclopenta[l]phenanthrenylidene]pyridine iodide IUPAC Name: 1-methyl-4-[1-(1-methylpyridin-1-ium-4-yl)cyclopenta[l]phenanthren-3-ylidene]pyridine iodide Traditional Name: 1-methyl-4-[1-(1-methylpyridin-1-ium-4-yl)cyclopenta[l]phenanthren-3-ylidene]pyridine iodide Formula: C29H23IN2 MolecularWeight: 526.41079

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C2C=C(C3=C2C4=CC=CC=C4C5=CC=CC=C53)C6=CC=[N+](C=C6)C)C=C1.[I-]

Isomeric SMILES

CN1C=CC(=C2C=C(C3=C2C4=CC=CC=C4C5=CC=CC=C53)C6=CC=[N+](C=C6)C)C=C1.[I-]

InChI

InChI=1S/C29H23N2.HI/c1-30-15-11-20(12-16-30)26-19-27(21-13-17-31(2)18-14-21)29-25-10-6-4-8-23(25)22-7-3-5-9-24(22)28(26)29;/h3-19H,1-2H3;1H/q+1;/p-1