N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: 3-morpholin-4-ium-4-ylpropyl-(3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidin-7-yl)amine Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C(=C1)NCCC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=C(C=NN2C(=C1)NCCC[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O/c1-2-7-19-16-21(23-10-6-11-26-12-14-28-15-13-26)27-22(25-19)20(17-24-27)18-8-4-3-5-9-18/h3-5,8-9,16-17,23H,2,6-7,10-15H2,1H3/p+1