2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3=NNC(=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=NNC(=C3)C

InChI

InChI=1S/C21H29N5O3/c1-4-29-19-8-6-5-7-16(19)13-26-10-9-22-21(28)18(26)12-20(27)25(3)14-17-11-15(2)23-24-17/h5-8,11,18H,4,9-10,12-14H2,1-3H3,(H,22,28)(H,23,24)/p+1/t18-/m1/s1