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

Systemtic Name: 1-methyl-4-[1-(1-methylpyridin-1-ium-4-yl)cyclopenta[l]phenanthren-3-ylidene]pyridine Openeye Name: 1-methyl-4-[1-(1-methylpyridin-1-ium-4-yl)cyclopenta[l]phenanthren-3-ylidene]pyridine CAS Name: 1-methyl-4-[1-(1-methyl-4-pyridin-1-iumyl)-3-cyclopenta[l]phenanthrenylidene]pyridine IUPAC Name: 1-methyl-4-[1-(1-methylpyridin-1-ium-4-yl)cyclopenta[l]phenanthren-3-ylidene]pyridine Traditional Name: 1-methyl-4-[1-(1-methylpyridin-1-ium-4-yl)cyclopenta[l]phenanthren-3-ylidene]pyridine Formula: C29H23N2+ MolecularWeight: 399.50632

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H23N2/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/q+1