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

Systemtic Name: (2S)-2-methoxy-N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-methoxy-N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: (2S)-2-methoxy-N-[2-[1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: (2S)-2-methoxy-N-[2-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: (2S)-N-[2-(1-m-anisylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C(C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)[C@H](C4=CC=CC=C4)OC

InChI

InChI=1S/C25H30N4O3/c1-31-22-10-6-7-19(17-22)18-28-15-12-21(13-16-28)29-23(11-14-26-29)27-25(30)24(32-2)20-8-4-3-5-9-20/h3-11,14,17,21,24H,12-13,15-16,18H2,1-2H3,(H,27,30)/p+1/t24-/m0/s1