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

Systemtic Name: N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine Openeye Name: N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine CAS Name: N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-(2,3,4-trimethoxyphenyl)methanimine IUPAC Name: N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine Traditional Name: (E)-(4-pyridin-1-ium-2-ylpiperazino)-(2,3,4-trimethoxybenzylidene)amine Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3/c1-24-16-8-7-15(18(25-2)19(16)26-3)14-21-23-12-10-22(11-13-23)17-6-4-5-9-20-17/h4-9,14H,10-13H2,1-3H3/p+1/b21-14+