1-[5-(4-ethoxyphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[5-(4-ethoxyphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[5-(4-ethoxyphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[5-(4-ethoxyphenoxy)-3-methyl-1-phenyl-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[5-(4-ethoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[5-(4-ethoxyphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=C(C(=NN2C3=CC=CC=C3)C)C=NN4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=C(C(=NN2C3=CC=CC=C3)C)/C=N\N4CC[NH+](CC4)C

InChI

InChI=1S/C24H29N5O2/c1-4-30-21-10-12-22(13-11-21)31-24-23(18-25-28-16-14-27(3)15-17-28)19(2)26-29(24)20-8-6-5-7-9-20/h5-13,18H,4,14-17H2,1-3H3/p+1/b25-18-