10-[2-[4-(2-adamantyl)piperazin-4-ium-1-yl]ethyl]-2-(trifluoromethyl)phenothiazine

Systemtic Name: 10-[2-[4-(2-adamantyl)piperazin-4-ium-1-yl]ethyl]-2-(trifluoromethyl)phenothiazine Openeye Name: 10-[2-[4-(2-adamantyl)piperazin-4-ium-1-yl]ethyl]-2-(trifluoromethyl)phenothiazine CAS Name: 10-[2-[4-(2-adamantyl)-1-piperazin-4-iumyl]ethyl]-2-(trifluoromethyl)phenothiazine IUPAC Name: 10-[2-[4-(2-adamantyl)piperazin-4-ium-1-yl]ethyl]-2-(trifluoromethyl)phenothiazine Traditional Name: 10-[2-[4-(2-adamantyl)piperazin-4-ium-1-yl]ethyl]-2-(trifluoromethyl)phenothiazine Formula: C29H35F3N3S+ MolecularWeight: 514.66851

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)CCN5C6=CC=CC=C6SC7=C5C=C(C=C7)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)CCN5C6=CC=CC=C6SC7=C5C=C(C=C7)C(F)(F)F

InChI

InChI=1S/C29H34F3N3S/c30-29(31,32)23-5-6-27-25(18-23)35(24-3-1-2-4-26(24)36-27)12-9-33-7-10-34(11-8-33)28-21-14-19-13-20(16-21)17-22(28)15-19/h1-6,18-22,28H,7-17H2/p+1