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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]acetamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-2-11-23-21(26)15-20-22(27)24-12-13-25(20)16-17-7-6-10-19(14-17)28-18-8-4-3-5-9-18/h2-10,14,20H,1,11-13,15-16H2,(H,23,26)(H,24,27)/p+1/t20-/m1/s1