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

Systemtic Name: dihexyl-[7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenothiazin-3-ylidene]azanium Openeye Name: [7-[2-(tert-butoxycarbonylamino)ethylamino]phenothiazin-3-ylidene]-dihexyl-ammonium CAS Name: dihexyl-[7-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-3-phenothiazinylidene]ammonium IUPAC Name: dihexyl-[7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenothiazin-3-ylidene]azanium Traditional Name: [7-[2-(tert-butoxycarbonylamino)ethylamino]phenothiazin-3-ylidene]-dihexyl-ammonium Formula: C31H47N4O2S+ MolecularWeight: 539.79548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N4O2S/c1-6-8-10-12-20-35(21-13-11-9-7-2)25-15-17-27-29(23-25)38-28-22-24(14-16-26(28)34-27)32-18-19-33-30(36)37-31(3,4)5/h14-17,22-23H,6-13,18-21H2,1-5H3,(H,33,36)/p+1