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

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C22H34N5O2+ MolecularWeight: 400.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCCN3C(=CC(=N3)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCCN3C(=CC(=N3)C)C

InChI

InChI=1S/C22H33N5O2/c1-4-29-21-9-6-5-8-20(21)26-14-12-25(13-15-26)17-22(28)23-10-7-11-27-19(3)16-18(2)24-27/h5-6,8-9,16H,4,7,10-15,17H2,1-3H3,(H,23,28)/p+1