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

Systemtic Name: 1,5-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-pyrazole-3-carboxamide Openeye Name: 1,5-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-pyrazole-3-carboxamide CAS Name: 1,5-dimethyl-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-N-phenethyl-3-pyrazolecarboxamide IUPAC Name: 1,5-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethylpyrazole-3-carboxamide Traditional Name: 1,5-dimethyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-pyrazole-3-carboxamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N(CCC2=CC=CC=C2)CC3CCC[NH+](C3)C

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N(CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C21H30N4O/c1-17-14-20(22-24(17)3)21(26)25(13-11-18-8-5-4-6-9-18)16-19-10-7-12-23(2)15-19/h4-6,8-9,14,19H,7,10-13,15-16H2,1-3H3/p+1/t19-/m0/s1