1-(4-propan-2-ylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-(4-propan-2-ylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(4-isopropylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(4-propan-2-ylphenyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(4-propan-2-ylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (Z)-(4-isopropylbenzylidene)-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C19H25N4+ MolecularWeight: 309.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4/c1-16(2)18-8-6-17(7-9-18)15-21-23-13-11-22(12-14-23)19-5-3-4-10-20-19/h3-10,15-16H,11-14H2,1-2H3/p+1/b21-15-