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

Systemtic Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C21H23N4O2S2+ MolecularWeight: 427.56292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H22N4O2S2/c26-19(22-14-5-6-14)13-24-9-11-25(12-10-24)21(27)18-8-7-17(28-18)20-23-15-3-1-2-4-16(15)29-20/h1-4,7-8,14H,5-6,9-13H2,(H,22,26)/p+1