2-[4-(2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(2-methyl-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)CCO)C)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)CCO)C)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O/c1-3-7-19-16-20(26-12-10-25(11-13-26)14-15-28)27-22(23-19)21(17(2)24-27)18-8-5-4-6-9-18/h4-6,8-9,16,28H,3,7,10-15H2,1-2H3/p+1