N-[(1S)-1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-2-pyrazol-1-yl-ethanamide

Systemtic Name: N-[(1S)-1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-2-pyrazol-1-yl-ethanamide Openeye Name: N-[(1S)-1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-2-pyrazol-1-yl-acetamide CAS Name: N-[(1S)-1-[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-N-methyl-2-(1-pyrazolyl)acetamide IUPAC Name: N-[(1S)-1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]-N-methyl-2-pyrazol-1-ylacetamide Traditional Name: N-[(1S)-1-[1-(2,4-dimethoxybenzyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-2-pyrazol-1-yl-acetamide Formula: C28H37N4O3+ MolecularWeight: 477.61838

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=C(C=C(C=C3)OC)OC)C(=O)CN4C=CC=N4

Isomeric SMILES

CN([C@@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=C(C=C(C=C3)OC)OC)C(=O)CN4C=CC=N4

InChI

InChI=1S/C28H36N4O3/c1-30(28(33)21-32-15-7-14-29-32)26(18-22-8-5-4-6-9-22)23-12-16-31(17-13-23)20-24-10-11-25(34-2)19-27(24)35-3/h4-11,14-15,19,23,26H,12-13,16-18,20-21H2,1-3H3/p+1/t26-/m0/s1