N-[(1-oxidanylcyclohexyl)methyl]-2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(1-oxidanylcyclohexyl)methyl]-2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide CAS Name: N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-hydroxycyclohexyl)methyl]-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-[(E)-cinnamyl]-3-keto-piperazin-1-ium-2-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CC2C(=O)NCC[NH+]2CC=CC3=CC=CC=C3)O

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[C@@H]2C(=O)NCC[NH+]2C/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C22H31N3O3/c26-20(24-17-22(28)11-5-2-6-12-22)16-19-21(27)23-13-15-25(19)14-7-10-18-8-3-1-4-9-18/h1,3-4,7-10,19,28H,2,5-6,11-17H2,(H,23,27)(H,24,26)/p+1/b10-7+/t19-/m1/s1