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

Systemtic Name: (2S)-2-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: (2S)-2-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: (2S)-2-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: (2S)-2-methoxy-N-[2-[1-[(E)-2-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=C(C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C(C3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-4-17(2)16-25-14-11-19(12-15-25)26-20(10-13-23-26)24-22(27)21(28-3)18-8-6-5-7-9-18/h4-10,13,19,21H,11-12,14-16H2,1-3H3,(H,24,27)/p+1/b17-4+/t21-/m0/s1