2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC=C

InChI

InChI=1S/C18H25N3O3/c1-3-9-19-17(22)12-16-18(23)20-10-11-21(16)13-14-5-7-15(8-6-14)24-4-2/h3,5-8,16H,1,4,9-13H2,2H3,(H,19,22)(H,20,23)/p+1/t16-/m1/s1