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

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

Systemtic Name:[7-[bis(3-methylbutyl)amino]phenothiazin-3-ylidene]-dibutyl-azanium
Openeye Name:dibutyl-[7-(diisopentylamino)phenothiazin-3-ylidene]ammonium
CAS Name:[7-[bis(3-methylbutyl)amino]-3-phenothiazinylidene]-dibutylammonium
IUPAC Name:[7-[bis(3-methylbutyl)amino]phenothiazin-3-ylidene]-dibutylazanium
Traditional Name:dibutyl-[7-(diisoamylamino)phenothiazin-3-ylidene]ammonium
Formula: C30H46N3S+
MolecularWeight: 480.77134
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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CCC(C)C)CCC(C)C)SC2=C1)CCCC


Isomeric SMILES

CCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N(CCC(C)C)CCC(C)C)SC2=C1)CCCC


InChI

InChI=1S/C30H46N3S/c1-7-9-17-32(18-10-8-2)25-11-13-27-29(21-25)34-30-22-26(12-14-28(30)31-27)33(19-15-23(3)4)20-16-24(5)6/h11-14,21-24H,7-10,15-20H2,1-6H3/q+1


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