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

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acetamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H32N4O/c1-17-10-7-8-14-25(17)15-9-13-23-22(27)16-21-18(2)24-26(19(21)3)20-11-5-4-6-12-20/h4-6,11-12,17H,7-10,13-16H2,1-3H3,(H,23,27)/p+1/t17-/m0/s1