1-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-(4-benzoxy-3-bromo-5-methoxy-benzylidene)-(4-methylpiperazin-4-ium-1-yl)amine Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H24BrN3O2/c1-23-8-10-24(11-9-23)22-14-17-12-18(21)20(19(13-17)25-2)26-15-16-6-4-3-5-7-16/h3-7,12-14H,8-11,15H2,1-2H3/p+1/b22-14-