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

Systemtic Name: 2-[(2R)-1-[(5-methylfuran-2-yl)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-[(5-methyl-2-furyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-2-[(2R)-1-[(5-methyl-2-furanyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2-allyl-2-hydroxy-pent-4-enyl)-2-[(2R)-3-keto-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]acetamide Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCNC(=O)C2CC(=O)NCC(CC=C)(CC=C)O

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC(CC=C)(CC=C)O

InChI

InChI=1S/C20H29N3O4/c1-4-8-20(26,9-5-2)14-22-18(24)12-17-19(25)21-10-11-23(17)13-16-7-6-15(3)27-16/h4-7,17,26H,1-2,8-14H2,3H3,(H,21,25)(H,22,24)/p+1/t17-/m1/s1