5-ethyl-2-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-pyrazole-3-carboxamide

Systemtic Name: 5-ethyl-2-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-pyrazole-3-carboxamide Openeye Name: 5-ethyl-2-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-pyrazole-3-carboxamide CAS Name: 5-ethyl-2-methyl-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-N-phenethyl-3-pyrazolecarboxamide IUPAC Name: 5-ethyl-2-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethylpyrazole-3-carboxamide Traditional Name: 5-ethyl-2-methyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-pyrazole-3-carboxamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)N(CCC2=CC=CC=C2)CC3CCC[NH+](C3)C)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)N(CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C)C

InChI

InChI=1S/C22H32N4O/c1-4-20-15-21(25(3)23-20)22(27)26(14-12-18-9-6-5-7-10-18)17-19-11-8-13-24(2)16-19/h5-7,9-10,15,19H,4,8,11-14,16-17H2,1-3H3/p+1/t19-/m0/s1