[7-[bis(3-methylbutyl)amino]phenothiazin-3-ylidene]-bis(3-methylbutyl)azanium

Systemtic Name: [7-[bis(3-methylbutyl)amino]phenothiazin-3-ylidene]-bis(3-methylbutyl)azanium Openeye Name: [7-(diisopentylamino)phenothiazin-3-ylidene]-diisopentyl-ammonium CAS Name: [7-[bis(3-methylbutyl)amino]-3-phenothiazinylidene]-bis(3-methylbutyl)ammonium IUPAC Name: [7-[bis(3-methylbutyl)amino]phenothiazin-3-ylidene]-bis(3-methylbutyl)azanium Traditional Name: [7-(diisoamylamino)phenothiazin-3-ylidene]-diisoamyl-ammonium Formula: C32H50N3S+ MolecularWeight: 508.8245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCC(C)C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCC(C)C)CCC(C)C)C=C3S2

Isomeric SMILES

CC(C)CCN(CCC(C)C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCC(C)C)CCC(C)C)C=C3S2

InChI

InChI=1S/C32H50N3S/c1-23(2)13-17-34(18-14-24(3)4)27-9-11-29-31(21-27)36-32-22-28(10-12-30(32)33-29)35(19-15-25(5)6)20-16-26(7)8/h9-12,21-26H,13-20H2,1-8H3/q+1