N-(4-oxidanylcyclohexyl)-2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(4-oxidanylcyclohexyl)-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-(4-hydroxycyclohexyl)acetamide CAS Name: N-(4-hydroxycyclohexyl)-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-hydroxycyclohexyl)-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-(4-hydroxycyclohexyl)acetamide Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC(=O)CC2C(=O)NCC[NH+]2CC=CC3=CC=CC=C3)O

Isomeric SMILES

C1CC(CCC1NC(=O)C[C@@H]2C(=O)NCC[NH+]2C/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C21H29N3O3/c25-18-10-8-17(9-11-18)23-20(26)15-19-21(27)22-12-14-24(19)13-4-7-16-5-2-1-3-6-16/h1-7,17-19,25H,8-15H2,(H,22,27)(H,23,26)/p+1/b7-4+/t17?,18?,19-/m1/s1