1,3-benzothiazol-6-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1,3-benzothiazol-6-yl)methanone CAS Name: 1,3-benzothiazol-6-yl-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1,3-benzothiazol-6-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1,3-benzothiazol-6-yl)methanone Formula: C25H24N3OS+ MolecularWeight: 414.54256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C25H23N3OS/c29-25(21-11-12-22-23(17-21)30-18-26-22)28-15-13-27(14-16-28)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,24H,13-16H2/p+1