N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1CCNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C27H34N4O2/c1-21-20-22(2)31(29-21)19-15-28-27(32)24-8-10-25(11-9-24)33-26-13-17-30(18-14-26)16-12-23-6-4-3-5-7-23/h3-11,20,26H,12-19H2,1-2H3,(H,28,32)/p+1