7-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-[2-(3-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CCOC4=CC=CC(=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CCOC4=CC=CC(=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c1-20-17-25(31-26(28-20)24(19-27-31)21-7-4-3-5-8-21)30-13-11-29(12-14-30)15-16-33-23-10-6-9-22(18-23)32-2/h3-10,17-19H,11-16H2,1-2H3/p+1