N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H30N4O/c1-16-9-7-8-12-24(16)15-21(26)22-13-20-17(2)23-25(18(20)3)14-19-10-5-4-6-11-19/h4-6,10-11,16H,7-9,12-15H2,1-3H3,(H,22,26)/p+1/t16-/m0/s1