[7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenothiazin-3-ylidene]-di(propan-2-yl)azanium

Systemtic Name: [7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenothiazin-3-ylidene]-di(propan-2-yl)azanium Openeye Name: [7-[2-(tert-butoxycarbonylamino)ethylamino]phenothiazin-3-ylidene]-diisopropyl-ammonium CAS Name: [7-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-3-phenothiazinylidene]-di(propan-2-yl)ammonium IUPAC Name: [7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenothiazin-3-ylidene]-di(propan-2-yl)azanium Traditional Name: [7-[2-(tert-butoxycarbonylamino)ethylamino]phenothiazin-3-ylidene]-diisopropyl-ammonium Formula: C25H35N4O2S+ MolecularWeight: 455.636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](=C1C=CC2=NC3=C(C=C(C=C3)NCCNC(=O)OC(C)(C)C)SC2=C1)C(C)C

Isomeric SMILES

CC(C)[N+](=C1C=CC2=NC3=C(C=C(C=C3)NCCNC(=O)OC(C)(C)C)SC2=C1)C(C)C

InChI

InChI=1S/C25H34N4O2S/c1-16(2)29(17(3)4)19-9-11-21-23(15-19)32-22-14-18(8-10-20(22)28-21)26-12-13-27-24(30)31-25(5,6)7/h8-11,14-17H,12-13H2,1-7H3,(H,27,30)/p+1