1-(4-methoxy-3-phenylmethoxy-phenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-(4-methoxy-3-phenylmethoxy-phenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(3-benzyloxy-4-methoxy-phenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(4-methoxy-3-phenylmethoxyphenyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(4-methoxy-3-phenylmethoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (E)-(3-benzoxy-4-methoxy-benzylidene)-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C24H27N4O2+ MolecularWeight: 403.49678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/N2CCN(CC2)C3=CC=CC=[NH+]3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c1-29-22-11-10-21(17-23(22)30-19-20-7-3-2-4-8-20)18-26-28-15-13-27(14-16-28)24-9-5-6-12-25-24/h2-12,17-18H,13-16,19H2,1H3/p+1/b26-18+