1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium

Systemtic Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Openeye Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium CAS Name: 1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium IUPAC Name: 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Traditional Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Formula: C19H27ClN3O2+ MolecularWeight: 364.88958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCC(CC3)OCCOC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCC(CC3)OCCOC

InChI

InChI=1S/C19H26ClN3O2/c1-22-13-16(19(21-22)15-4-3-5-17(20)12-15)14-23-8-6-18(7-9-23)25-11-10-24-2/h3-5,12-13,18H,6-11,14H2,1-2H3/p+1