1-(3-phenylmethoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-(3-phenylmethoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(3-benzyloxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(3-phenylmethoxyphenyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(3-phenylmethoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (E)-(3-benzoxybenzylidene)-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)N=CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)/N=C/C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O/c1-2-7-20(8-3-1)19-28-22-10-6-9-21(17-22)18-25-27-15-13-26(14-16-27)23-11-4-5-12-24-23/h1-12,17-18H,13-16,19H2/p+1/b25-18+