N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-methyl-acetamide Formula: C24H30N4OS+2 MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS/c1-26(18-23-25-21-11-5-6-12-22(21)30-23)24(29)19-28-16-14-27(15-17-28)13-7-10-20-8-3-2-4-9-20/h2-12H,13-19H2,1H3/p+2/b10-7+