N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazol-1-yl-benzamide

Systemtic Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazol-1-yl-benzamide Openeye Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazol-1-yl-benzamide CAS Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-3-(1-pyrazolyl)benzamide IUPAC Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazol-1-ylbenzamide Traditional Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazol-1-yl-benzamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)C3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)C3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C26H32N4O2/c1-28(26(31)23-10-5-11-24(18-23)30-16-7-14-27-30)19-21-8-6-15-29(20-21)17-13-22-9-3-4-12-25(22)32-2/h3-5,7,9-12,14,16,18,21H,6,8,13,15,17,19-20H2,1-2H3/p+1/t21-/m1/s1