N-methyl-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(1H-pyrazol-5-ylmethyl)benzamide

Systemtic Name: N-methyl-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(1H-pyrazol-5-ylmethyl)benzamide Openeye Name: N-methyl-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(1H-pyrazol-5-ylmethyl)benzamide CAS Name: N-methyl-3-[(1-phenethyl-4-piperidin-1-iumyl)oxy]-N-(1H-pyrazol-5-ylmethyl)benzamide IUPAC Name: N-methyl-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(1H-pyrazol-5-ylmethyl)benzamide Traditional Name: N-methyl-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(1H-pyrazol-5-ylmethyl)benzamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NN1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=NN1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-28(19-22-10-14-26-27-22)25(30)21-8-5-9-24(18-21)31-23-12-16-29(17-13-23)15-11-20-6-3-2-4-7-20/h2-10,14,18,23H,11-13,15-17,19H2,1H3,(H,26,27)/p+1