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

Systemtic Name: 1-(3-phenoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(3-phenoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(3-phenoxyphenyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(3-phenoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (E)-(3-phenoxybenzylidene)-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)N=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)/N=C/C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O/c1-2-8-20(9-3-1)27-21-10-6-7-19(17-21)18-24-26-15-13-25(14-16-26)22-11-4-5-12-23-22/h1-12,17-18H,13-16H2/p+1/b24-18+