N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)allyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-cyclohexyl-2-[(2R)-3-keto-1-[(E)-3-(2-methoxyphenyl)allyl]piperazin-1-ium-2-yl]acetamide Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCNC(=O)C2CC(=O)NC3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3CCCCC3

InChI

InChI=1S/C22H31N3O3/c1-28-20-12-6-5-8-17(20)9-7-14-25-15-13-23-22(27)19(25)16-21(26)24-18-10-3-2-4-11-18/h5-9,12,18-19H,2-4,10-11,13-16H2,1H3,(H,23,27)(H,24,26)/p+1/b9-7+/t19-/m1/s1