(2S)-N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-ethanamide

Systemtic Name: (2S)-N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-ethanamide Openeye Name: (2S)-N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide CAS Name: (2S)-N-[2-[1-[(3-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxy-2-phenylacetamide IUPAC Name: (2S)-N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide Traditional Name: (2S)-N-[2-[1-(3-ethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C(C4=CC=CC=C4)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)[C@H](C4=CC=CC=C4)OC

InChI

InChI=1S/C26H32N4O3/c1-3-33-23-11-7-8-20(18-23)19-29-16-13-22(14-17-29)30-24(12-15-27-30)28-26(31)25(32-2)21-9-5-4-6-10-21/h4-12,15,18,22,25H,3,13-14,16-17,19H2,1-2H3,(H,28,31)/p+1/t25-/m0/s1