3-(1,3-benzothiazol-2-yl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1,3-benzothiazol-2-yl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1,3-benzothiazol-2-yl)propan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1,3-benzothiazol-2-yl)propan-1-one Formula: C27H28N3OS+ MolecularWeight: 442.59572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H27N3OS/c31-26(16-15-25-28-23-13-7-8-14-24(23)32-25)29-17-19-30(20-18-29)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,27H,15-20H2/p+1