(5S)-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1-prop-2-ynyl-azepan-2-one

Systemtic Name: (5S)-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1-prop-2-ynyl-azepan-2-one Openeye Name: (5S)-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1-prop-2-ynyl-azepan-2-one CAS Name: (5S)-5-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-prop-2-ynyl-2-azepanone IUPAC Name: (5S)-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-1-prop-2-ynylazepan-2-one Traditional Name: (5S)-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1-propargyl-azepan-2-one Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCC(CCC1=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C#CCN1CC[C@H](CCC1=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-2-13-25-15-12-21(10-11-22(25)26)24-18-16-23(17-19-24)14-6-9-20-7-4-3-5-8-20/h1,3-9,21H,10-19H2/p+1/b9-6+/t21-/m0/s1