1-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[1-benzyl-3-(3,4-dimethoxyphenyl)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:

C[NH+]1CCN(CC1)N=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2/c1-27-11-13-28(14-12-27)25-16-21-18-29(17-19-7-5-4-6-8-19)26-24(21)20-9-10-22(30-2)23(15-20)31-3/h4-10,15-16,18H,11-14,17H2,1-3H3/p+1/b25-16-