N-[(2-chlorophenyl)methoxy]-1-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]methanimine bromide

Systemtic Name: N-[(2-chlorophenyl)methoxy]-1-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]methanimine bromide Openeye Name: N-[(2-chlorophenyl)methoxy]-1-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]methanimine bromide CAS Name: N-[(2-chlorophenyl)methoxy]-1-[1-(3-phenylpropyl)-4-pyridin-1-iumyl]methanimine bromide IUPAC Name: N-[(2-chlorophenyl)methoxy]-1-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]methanimine bromide Traditional Name: (E)-(2-chlorobenzyl)oxy-[[1-(3-phenylpropyl)pyridin-1-ium-4-yl]methylene]amine bromide Formula: C22H22BrClN2O MolecularWeight: 445.77988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC[N+]2=CC=C(C=C2)C=NOCC3=CC=CC=C3Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CCC[N+]2=CC=C(C=C2)/C=N/OCC3=CC=CC=C3Cl.[Br-]

InChI

InChI=1S/C22H22ClN2O.BrH/c23-22-11-5-4-10-21(22)18-26-24-17-20-12-15-25(16-13-20)14-6-9-19-7-2-1-3-8-19;/h1-5,7-8,10-13,15-17H,6,9,14,18H2;1H/q+1;/p-1/b24-17+;