5-(1,3-benzothiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pentan-1-one

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pentan-1-one Openeye Name: 5-(1,3-benzothiazol-2-yl)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]pentan-1-one CAS Name: 5-(1,3-benzothiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-pentanone IUPAC Name: 5-(1,3-benzothiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pentan-1-one Traditional Name: 5-(1,3-benzothiazol-2-yl)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]pentan-1-one Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H29N3OS/c29-25(15-7-6-14-24-26-22-12-4-5-13-23(22)30-24)28-19-17-27(18-20-28)16-8-11-21-9-2-1-3-10-21/h1-5,8-13H,6-7,14-20H2/p+1/b11-8+