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

Systemtic Name: N-cycloheptyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cycloheptyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)allyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-cycloheptyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cycloheptyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-cycloheptyl-2-[(2R)-3-keto-1-[(E)-3-(2-methoxyphenyl)allyl]piperazin-1-ium-2-yl]acetamide Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCNC(=O)C2CC(=O)NC3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3CCCCCC3

InChI

InChI=1S/C23H33N3O3/c1-29-21-13-7-6-9-18(21)10-8-15-26-16-14-24-23(28)20(26)17-22(27)25-19-11-4-2-3-5-12-19/h6-10,13,19-20H,2-5,11-12,14-17H2,1H3,(H,24,28)(H,25,27)/p+1/b10-8+/t20-/m1/s1