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

Systemtic Name: N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-[(E)-2-methylbut-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O/c1-3-18(2)17-25-15-12-20(13-16-25)26-21(11-14-23-26)24-22(27)10-9-19-7-5-4-6-8-19/h3-8,11,14,20H,9-10,12-13,15-17H2,1-2H3,(H,24,27)/p+1/b18-3+