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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynyl-ethanamide Openeye Name: N-allyl-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]-N-prop-2-enyl-N-prop-2-ynylacetamide IUPAC Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynylacetamide Traditional Name: N-allyl-2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-propargyl-acetamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC#C)C(=O)CC1C(=O)NCC[NH+]1CCCC2=CC=CC=C2

Isomeric SMILES

C=CCN(CC#C)C(=O)C[C@@H]1C(=O)NCC[NH+]1CCCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2/c1-3-13-24(14-4-2)20(25)17-19-21(26)22-12-16-23(19)15-8-11-18-9-6-5-7-10-18/h1,4-7,9-10,19H,2,8,11-17H2,(H,22,26)/p+1/t19-/m1/s1