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

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H32N5O2+ MolecularWeight: 386.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2/c1-17-14-18(2)26(23-17)9-5-8-22-21(27)16-24-10-12-25(13-11-24)19-6-4-7-20(15-19)28-3/h4,6-7,14-15H,5,8-13,16H2,1-3H3,(H,22,27)/p+1