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

Systemtic Name: dimethyl-[7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenothiazin-3-ylidene]azanium Openeye Name: [7-[2-(tert-butoxycarbonylamino)ethylamino]phenothiazin-3-ylidene]-dimethyl-ammonium CAS Name: dimethyl-[7-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-3-phenothiazinylidene]ammonium IUPAC Name: dimethyl-[7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]phenothiazin-3-ylidene]azanium Traditional Name: [7-[2-(tert-butoxycarbonylamino)ethylamino]phenothiazin-3-ylidene]-dimethyl-ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2

InChI

InChI=1S/C21H26N4O2S/c1-21(2,3)27-20(26)23-11-10-22-14-6-8-16-18(12-14)28-19-13-15(25(4)5)7-9-17(19)24-16/h6-9,12-13H,10-11H2,1-5H3,(H,23,26)/p+1