(2R)-1-phenothiazin-10-yl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-phenothiazin-10-yl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-phenothiazin-10-yl-propan-2-ol CAS Name: (2R)-1-(10-phenothiazinyl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-phenothiazin-10-ylpropan-2-ol Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-phenothiazin-10-yl-propan-2-ol Formula: C26H30N3OS+ MolecularWeight: 432.6009

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4SC5=CC=CC=C53)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@H](CN3C4=CC=CC=C4SC5=CC=CC=C53)O

InChI

InChI=1S/C26H29N3OS/c30-22(19-28-16-14-27(15-17-28)18-21-8-2-1-3-9-21)20-29-23-10-4-6-12-25(23)31-26-13-7-5-11-24(26)29/h1-13,22,30H,14-20H2/p+1/t22-/m1/s1