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

Systemtic Name: (2S)-2-methoxy-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-methoxy-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: (2S)-2-methoxy-N-[2-[1-(3-methylbut-2-enyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: (2S)-2-methoxy-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: (2S)-2-methoxy-N-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-17(2)10-14-25-15-11-19(12-16-25)26-20(9-13-23-26)24-22(27)21(28-3)18-7-5-4-6-8-18/h4-10,13,19,21H,11-12,14-16H2,1-3H3,(H,24,27)/p+1/t21-/m0/s1