2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-4-ium-1-yl)-3,5-dimethyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-4-ium-1-yl)-3,5-dimethyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-4-ium-1-yl)-3,5-dimethyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2-(3,4-dimethoxyphenyl)-7-(4-ethyl-1-piperazin-4-iumyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-4-ium-1-yl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine Traditional Name: 2-(3,4-dimethoxyphenyl)-7-(4-ethylpiperazin-4-ium-1-yl)-3,5-dimethyl-pyrazolo[1,5-a]pyrimidine Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=NC3=C(C(=NN23)C4=CC(=C(C=C4)OC)OC)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=NC3=C(C(=NN23)C4=CC(=C(C=C4)OC)OC)C)C

InChI

InChI=1S/C22H29N5O2/c1-6-25-9-11-26(12-10-25)20-13-15(2)23-22-16(3)21(24-27(20)22)17-7-8-18(28-4)19(14-17)29-5/h7-8,13-14H,6,9-12H2,1-5H3/p+1