N-[[1-oxidanidyl-6-[phenyl(phenylazanyl)methyl]pyridin-1-ium-2-yl]-phenyl-methyl]aniline

Systemtic Name: N-[[1-oxidanidyl-6-[phenyl(phenylazanyl)methyl]pyridin-1-ium-2-yl]-phenyl-methyl]aniline Openeye Name: N-[[6-[anilino(phenyl)methyl]-1-oxido-pyridin-1-ium-2-yl]-phenyl-methyl]aniline CAS Name: N-[[6-[anilino(phenyl)methyl]-1-oxido-2-pyridin-1-iumyl]-phenylmethyl]aniline IUPAC Name: N-[[6-[anilino(phenyl)methyl]-1-oxidopyridin-1-ium-2-yl]-phenylmethyl]aniline Traditional Name: [[6-[anilino(phenyl)methyl]-1-oxido-pyridin-1-ium-2-yl]-phenyl-methyl]-phenyl-amine Formula: C31H27N3O MolecularWeight: 457.56558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=[N+](C(=CC=C2)C(C3=CC=CC=C3)NC4=CC=CC=C4)[O-])NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C2=[N+](C(=CC=C2)C(C3=CC=CC=C3)NC4=CC=CC=C4)[O-])NC5=CC=CC=C5

InChI

InChI=1S/C31H27N3O/c35-34-28(30(24-14-5-1-6-15-24)32-26-18-9-3-10-19-26)22-13-23-29(34)31(25-16-7-2-8-17-25)33-27-20-11-4-12-21-27/h1-23,30-33H