1-(4-tert-butylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-(4-tert-butylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(4-tert-butylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(4-tert-butylphenyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(4-tert-butylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (E)-(4-tert-butylbenzylidene)-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C20H27N4+ MolecularWeight: 323.45518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4/c1-20(2,3)18-9-7-17(8-10-18)16-22-24-14-12-23(13-15-24)19-6-4-5-11-21-19/h4-11,16H,12-15H2,1-3H3/p+1/b22-16+