2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)ethanamide Openeye Name: N-(2-allyl-2-hydroxy-pent-4-enyl)-2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide IUPAC Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide Traditional Name: N-(2-allyl-2-hydroxy-pent-4-enyl)-2-[(2R)-1-(3,5-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C23H34N3O5+ MolecularWeight: 432.53316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O5/c1-5-7-23(29,8-6-2)16-25-21(27)14-20-22(28)24-9-10-26(20)15-17-11-18(30-3)13-19(12-17)31-4/h5-6,11-13,20,29H,1-2,7-10,14-16H2,3-4H3,(H,24,28)(H,25,27)/p+1/t20-/m1/s1