2-[4-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylpiperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylpiperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]-N-butyl-acetamide Formula: C22H27N4O2S2+ MolecularWeight: 443.60538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O2S2/c1-2-3-10-23-20(27)15-25-11-13-26(14-12-25)22(28)19-9-8-18(29-19)21-24-16-6-4-5-7-17(16)30-21/h4-9H,2-3,10-15H2,1H3,(H,23,27)/p+1