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

Systemtic Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[(1,5-dimethyl-3-pyrazolyl)methyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1C)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-20-18-23(28-29(20)2)19-27-26(31)22-8-10-24(11-9-22)32-25-13-16-30(17-14-25)15-12-21-6-4-3-5-7-21/h3-11,18,25H,12-17,19H2,1-2H3,(H,27,31)/p+1