phenyl-[4-[5-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexan-3-yl]phenyl]methanone

Systemtic Name: phenyl-[4-[5-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexan-3-yl]phenyl]methanone Openeye Name: [4-[1-ethyl-3-[4-(4-pyridyl)pyridin-1-ium-1-yl]butyl]phenyl]-phenyl-methanone CAS Name: phenyl-[4-[5-(4-pyridin-4-yl-1-pyridin-1-iumyl)hexan-3-yl]phenyl]methanone IUPAC Name: phenyl-[4-[5-(4-pyridin-4-ylpyridin-1-ium-1-yl)hexan-3-yl]phenyl]methanone Traditional Name: [4-[1-ethyl-3-[4-(4-pyridyl)pyridin-1-ium-1-yl]butyl]phenyl]-phenyl-methanone Formula: C29H29N2O+ MolecularWeight: 421.55336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)[N+]1=CC=C(C=C1)C2=CC=NC=C2)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCC(CC(C)[N+]1=CC=C(C=C1)C2=CC=NC=C2)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H29N2O/c1-3-23(24-9-11-28(12-10-24)29(32)27-7-5-4-6-8-27)21-22(2)31-19-15-26(16-20-31)25-13-17-30-18-14-25/h4-20,22-23H,3,21H2,1-2H3/q+1