ethyl-[(3S)-1-pyrazolo[1,5-a]pyrimidin-2-ylcarbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-pyrazolo[1,5-a]pyrimidin-2-ylcarbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[oxo(2-pyrazolo[1,5-a]pyrimidinyl)methyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=NN4C=CC=NC4=C3

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=NN4C=CC=NC4=C3

InChI

InChI=1S/C20H24N6O/c1-2-24(14-16-6-9-21-10-7-16)17-5-3-11-25(15-17)20(27)18-13-19-22-8-4-12-26(19)23-18/h4,6-10,12-13,17H,2-3,5,11,14-15H2,1H3/p+1/t17-/m0/s1