3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)C(=O)N(C)C3CCC[NH+](C3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)C(=O)N(C)[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4O/c1-20-17-21(2)30(27-20)24-12-7-11-23(18-24)26(31)28(3)25-13-8-15-29(19-25)16-14-22-9-5-4-6-10-22/h4-7,9-12,17-18,25H,8,13-16,19H2,1-3H3/p+1/t25-/m0/s1