2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]ethanamide Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]acetamide Formula: C22H32N5O4+ MolecularWeight: 430.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCNC(=O)CC2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC)C

Isomeric SMILES

CC1=CC(=NN1CCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=C(C(=CC=C3)OC)OC)C

InChI

InChI=1S/C22H31N5O4/c1-15-12-16(2)27(25-15)11-9-23-20(28)13-18-22(29)24-8-10-26(18)14-17-6-5-7-19(30-3)21(17)31-4/h5-7,12,18H,8-11,13-14H2,1-4H3,(H,23,28)(H,24,29)/p+1/t18-/m1/s1