10-[3-[4-(1-adamantyl)piperazin-4-ium-1-yl]propyl]-2-(trifluoromethyl)phenothiazine

Systemtic Name: 10-[3-[4-(1-adamantyl)piperazin-4-ium-1-yl]propyl]-2-(trifluoromethyl)phenothiazine Openeye Name: 10-[3-[4-(1-adamantyl)piperazin-4-ium-1-yl]propyl]-2-(trifluoromethyl)phenothiazine CAS Name: 10-[3-[4-(1-adamantyl)-1-piperazin-4-iumyl]propyl]-2-(trifluoromethyl)phenothiazine IUPAC Name: 10-[3-[4-(1-adamantyl)piperazin-4-ium-1-yl]propyl]-2-(trifluoromethyl)phenothiazine Traditional Name: 10-[3-[4-(1-adamantyl)piperazin-4-ium-1-yl]propyl]-2-(trifluoromethyl)phenothiazine Formula: C30H37F3N3S+ MolecularWeight: 528.69509

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)CCCN5C6=CC=CC=C6SC7=C5C=C(C=C7)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)CCCN5C6=CC=CC=C6SC7=C5C=C(C=C7)C(F)(F)F

InChI

InChI=1S/C30H36F3N3S/c31-30(32,33)24-6-7-28-26(17-24)36(25-4-1-2-5-27(25)37-28)9-3-8-34-10-12-35(13-11-34)29-18-21-14-22(19-29)16-23(15-21)20-29/h1-2,4-7,17,21-23H,3,8-16,18-20H2/p+1