N-[6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,3-benzothiazol-2-yl]ethanamide

Systemtic Name: N-[6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,3-benzothiazol-2-yl]ethanamide Openeye Name: N-[6-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[6-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-[6-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide Traditional Name: N-[6-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide Formula: C27H27N4O2S+ MolecularWeight: 471.59388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c1-19(32)28-27-29-23-13-12-22(18-24(23)34-27)26(33)31-16-14-30(15-17-31)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,25H,14-17H2,1H3,(H,28,29,32)/p+1