N-[2-[1-[(2S)-4-methylpentan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[1-[(2S)-4-methylpentan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-[(1S)-1,3-dimethylbutyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-[(2S)-4-methylpentan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-[(2S)-4-methylpentan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-[(1S)-1,3-dimethylbutyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C23H35N4O+ MolecularWeight: 383.5502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O/c1-18(2)17-19(3)26-15-12-21(13-16-26)27-22(11-14-24-27)25-23(28)10-9-20-7-5-4-6-8-20/h4-8,11,14,18-19,21H,9-10,12-13,15-17H2,1-3H3,(H,25,28)/p+1/t19-/m0/s1