(2S)-2-methoxy-2-phenyl-N-[2-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]ethanamide

Systemtic Name: (2S)-2-methoxy-2-phenyl-N-[2-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]ethanamide Openeye Name: (2S)-N-[2-(1-isopropylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide CAS Name: (2S)-2-methoxy-2-phenyl-N-[2-(1-propan-2-yl-4-piperidin-1-iumyl)-3-pyrazolyl]acetamide IUPAC Name: (2S)-2-methoxy-2-phenyl-N-[2-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]acetamide Traditional Name: (2S)-N-[2-(1-isopropylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C(C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)[C@H](C3=CC=CC=C3)OC

InChI

InChI=1S/C20H28N4O2/c1-15(2)23-13-10-17(11-14-23)24-18(9-12-21-24)22-20(25)19(26-3)16-7-5-4-6-8-16/h4-9,12,15,17,19H,10-11,13-14H2,1-3H3,(H,22,25)/p+1/t19-/m0/s1