N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C20H30N5O+ MolecularWeight: 356.4851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H29N5O/c1-17-15-18(2)25(22-17)10-6-9-21-20(26)16-23-11-13-24(14-12-23)19-7-4-3-5-8-19/h3-5,7-8,15H,6,9-14,16H2,1-2H3,(H,21,26)/p+1