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

Systemtic Name: N-[2-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-[(2S)-1-methoxypropan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2/c1-17(16-27-2)24-14-11-19(12-15-24)25-20(10-13-22-25)23-21(26)9-8-18-6-4-3-5-7-18/h3-7,10,13,17,19H,8-9,11-12,14-16H2,1-2H3,(H,23,26)/p+1/t17-/m0/s1