3-[5-azanyl-4-(2-hydroxyphenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-4-ium-6-yl]propyl ethanoate

Systemtic Name: 3-[5-azanyl-4-(2-hydroxyphenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-4-ium-6-yl]propyl ethanoate Openeye Name: 3-[5-amino-4-(2-hydroxyphenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-4-ium-6-yl]propyl acetate CAS Name: acetic acid 3-[5-amino-4-(2-hydroxyphenyl)-2-methyl-6-pyrazolo[1,5-a]pyrimidin-4-iumyl]propyl ester IUPAC Name: 3-[5-amino-4-(2-hydroxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-4-ium-6-yl]propyl acetate Traditional Name: acetic acid 3-[5-amino-4-(2-hydroxyphenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-4-ium-6-yl]propyl ester Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C=C(C(=[N+](C2=C1)C3=CC=CC=C3O)N)CCCOC(=O)C

Isomeric SMILES

CC1=NN2C=C(C(=[N+](C2=C1)C3=CC=CC=C3O)N)CCCOC(=O)C

InChI

InChI=1S/C18H20N4O3/c1-12-10-17-21(20-12)11-14(6-5-9-25-13(2)23)18(19)22(17)15-7-3-4-8-16(15)24/h3-4,7-8,10-11,19,24H,5-6,9H2,1-2H3/p+1