4-(3-chloranylphenoxy)-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-1-ium

Systemtic Name: 4-(3-chloranylphenoxy)-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-1-ium Openeye Name: 4-(3-chlorophenoxy)-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-1-ium CAS Name: 4-(3-chlorophenoxy)-1-[2-(3-methyl-1-pyrazolyl)ethyl]piperidin-1-ium IUPAC Name: 4-(3-chlorophenoxy)-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-1-ium Traditional Name: 4-(3-chlorophenoxy)-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-1-ium Formula: C17H23ClN3O+ MolecularWeight: 320.83702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CC[NH+]2CCC(CC2)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(C=C1)CC[NH+]2CCC(CC2)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H22ClN3O/c1-14-5-10-21(19-14)12-11-20-8-6-16(7-9-20)22-17-4-2-3-15(18)13-17/h2-5,10,13,16H,6-9,11-12H2,1H3/p+1