5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-6-prop-2-enyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-6-prop-2-enyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 6-allyl-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 5-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenyl-6-prop-2-enyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (6-allyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-(2-morpholin-4-ium-4-ylethyl)amine Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1CC=C)NCC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1CC=C)NCC[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c1-3-7-19-17(2)25-22-20(18-8-5-4-6-9-18)16-24-27(22)21(19)23-10-11-26-12-14-28-15-13-26/h3-6,8-9,16,23H,1,7,10-15H2,2H3/p+1