5-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]pyrimidine chloride

Systemtic Name: 5-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]pyrimidine chloride Openeye Name: 5-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]pyrimidine chloride CAS Name: 5-[3-(3-methyl-1-piperidin-1-iumyl)prop-1-ynyl]pyrimidine chloride IUPAC Name: 5-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]pyrimidine chloride Traditional Name: 5-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]pyrimidine chloride Formula: C13H18ClN3 MolecularWeight: 251.75512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC#CC2=CN=CN=C2.[Cl-]

Isomeric SMILES

CC1CCC[NH+](C1)CC#CC2=CN=CN=C2.[Cl-]

InChI

InChI=1S/C13H17N3.ClH/c1-12-4-2-6-16(10-12)7-3-5-13-8-14-11-15-9-13;/h8-9,11-12H,2,4,6-7,10H2,1H3;1H