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

Systemtic Name: N-cyclobutyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cyclobutyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)allyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-cyclobutyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclobutyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-cyclobutyl-2-[(2R)-3-keto-1-[(E)-3-(2-methoxyphenyl)allyl]piperazin-1-ium-2-yl]acetamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCNC(=O)C2CC(=O)NC3CCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3CCC3

InChI

InChI=1S/C20H27N3O3/c1-26-18-10-3-2-6-15(18)7-5-12-23-13-11-21-20(25)17(23)14-19(24)22-16-8-4-9-16/h2-3,5-7,10,16-17H,4,8-9,11-14H2,1H3,(H,21,25)(H,22,24)/p+1/b7-5+/t17-/m1/s1