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

Systemtic Name: 2-[(2S)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N,N-bis(prop-2-enyl)ethanamide Openeye Name: N,N-diallyl-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]-N,N-bis(prop-2-enyl)acetamide IUPAC Name: 2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N,N-bis(prop-2-enyl)acetamide Traditional Name: N,N-diallyl-2-[(2S)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]acetamide Formula: C25H30N3O3+ MolecularWeight: 420.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-3-14-27(15-4-2)24(29)18-23-25(30)26-13-16-28(23)19-20-9-8-12-22(17-20)31-21-10-6-5-7-11-21/h3-12,17,23H,1-2,13-16,18-19H2,(H,26,30)/p+1/t23-/m0/s1