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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]butan-1-one Formula: C24H28N3OS+ MolecularWeight: 406.56362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H27N3OS/c28-24(14-6-13-23-25-21-11-4-5-12-22(21)29-23)27-18-16-26(17-19-27)15-7-10-20-8-2-1-3-9-20/h1-5,7-12H,6,13-19H2/p+1/b10-7+