2-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide

Systemtic Name: 2-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide Openeye Name: 2-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide CAS Name: 2-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide IUPAC Name: 2-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide Traditional Name: 2-methyl-1-[5-(4-phenylphenyl)pentyl]pyridin-1-ium bromide Formula: C23H26BrN MolecularWeight: 396.36324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CCCCCC2=CC=C(C=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CC=CC=[N+]1CCCCCC2=CC=C(C=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H26N.BrH/c1-20-10-7-9-19-24(20)18-8-3-4-11-21-14-16-23(17-15-21)22-12-5-2-6-13-22;/h2,5-7,9-10,12-17,19H,3-4,8,11,18H2,1H3;1H/q+1;/p-1