3-[4-(2-adamantyl)piperazin-4-ium-1-yl]-1-(2-chloranylphenothiazin-10-yl)propan-1-one

Systemtic Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-yl]-1-(2-chloranylphenothiazin-10-yl)propan-1-one Openeye Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-yl]-1-(2-chlorophenothiazin-10-yl)propan-1-one CAS Name: 3-[4-(2-adamantyl)-1-piperazin-4-iumyl]-1-(2-chloro-10-phenothiazinyl)-1-propanone IUPAC Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-yl]-1-(2-chlorophenothiazin-10-yl)propan-1-one Traditional Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-yl]-1-(2-chlorophenothiazin-10-yl)propan-1-one Formula: C29H35ClN3OS+ MolecularWeight: 509.1257

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)CCC(=O)N5C6=CC=CC=C6SC7=C5C=C(C=C7)Cl

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)CCC(=O)N5C6=CC=CC=C6SC7=C5C=C(C=C7)Cl

InChI

InChI=1S/C29H34ClN3OS/c30-23-5-6-27-25(18-23)33(24-3-1-2-4-26(24)35-27)28(34)7-8-31-9-11-32(12-10-31)29-21-14-19-13-20(16-21)17-22(29)15-19/h1-6,18-22,29H,7-17H2/p+1