3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-phenethyl-benzamide

Systemtic Name: 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-phenethyl-benzamide Openeye Name: 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-phenethyl-benzamide CAS Name: 3-[[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]oxy]-N-phenethylbenzamide IUPAC Name: 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-phenethylbenzamide Traditional Name: 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]oxy-N-phenethyl-benzamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4

InChI

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