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

Systemtic Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide CAS Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(1-pyrazolyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Traditional Name: 2-[(2R)-1-(3,5-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Formula: C21H30N5O4+ MolecularWeight: 416.494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCCN3C=CC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCN3C=CC=N3)OC

InChI

InChI=1S/C21H29N5O4/c1-29-17-11-16(12-18(13-17)30-2)15-25-10-7-23-21(28)19(25)14-20(27)22-5-3-8-26-9-4-6-24-26/h4,6,9,11-13,19H,3,5,7-8,10,14-15H2,1-2H3,(H,22,27)(H,23,28)/p+1/t19-/m1/s1