2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4H-3,1-benzothiazine

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4H-3,1-benzothiazine Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4H-3,1-benzothiazine CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4H-3,1-benzothiazine IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4H-3,1-benzothiazine Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-4H-3,1-benzothiazine Formula: C25H26N3S+ MolecularWeight: 400.55904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5CS4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5CS4

InChI

InChI=1S/C25H25N3S/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)27-15-17-28(18-16-27)25-26-23-14-8-7-13-22(23)19-29-25/h1-14,24H,15-19H2/p+1