[7-(2-methylpyrrolidin-1-yl)phenothiazin-3-ylidene]-dipentyl-azanium

Systemtic Name: [7-(2-methylpyrrolidin-1-yl)phenothiazin-3-ylidene]-dipentyl-azanium Openeye Name: [7-(2-methylpyrrolidin-1-yl)phenothiazin-3-ylidene]-dipentyl-ammonium CAS Name: [7-(2-methyl-1-pyrrolidinyl)-3-phenothiazinylidene]-dipentylammonium IUPAC Name: [7-(2-methylpyrrolidin-1-yl)phenothiazin-3-ylidene]-dipentylazanium Traditional Name: diamyl-[7-(2-methylpyrrolidino)phenothiazin-3-ylidene]ammonium Formula: C27H38N3S+ MolecularWeight: 436.67572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N4CCCC4C)SC2=C1)CCCCC

Isomeric SMILES

CCCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N4CCCC4C)SC2=C1)CCCCC

InChI

InChI=1S/C27H38N3S/c1-4-6-8-16-29(17-9-7-5-2)22-12-14-24-26(19-22)31-27-20-23(13-15-25(27)28-24)30-18-10-11-21(30)3/h12-15,19-21H,4-11,16-18H2,1-3H3/q+1