(2-tert-butyl-7-ethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-tert-butyl-7-ethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-tert-butyl-7-ethyl-pyrazolo[1,5-a]pyrimidin-6-yl)methanone CAS Name: (2-tert-butyl-7-ethyl-6-pyrazolo[1,5-a]pyrimidinyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-tert-butyl-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-tert-butyl-7-ethyl-pyrazolo[1,5-a]pyrimidin-6-yl)methanone Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NC2=CC(=NN21)C(C)(C)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=NC2=CC(=NN21)C(C)(C)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O/c1-5-20-19(16-25-22-15-21(24(2,3)4)26-29(20)22)23(30)28-13-11-27(12-14-28)17-18-9-7-6-8-10-18/h6-10,15-16H,5,11-14,17H2,1-4H3/p+1