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dibutyl-[7-(dibutylamino)phenothiazin-3-ylidene]azanium

dibutyl-[7-(dibutylamino)phenothiazin-3-ylidene]azanium

Systemtic Name:dibutyl-[7-(dibutylamino)phenothiazin-3-ylidene]azanium
Openeye Name:dibutyl-[7-(dibutylamino)phenothiazin-3-ylidene]ammonium
CAS Name:dibutyl-[7-(dibutylamino)-3-phenothiazinylidene]ammonium
IUPAC Name:dibutyl-[7-(dibutylamino)phenothiazin-3-ylidene]azanium
Traditional Name:dibutyl-[7-(dibutylamino)phenothiazin-3-ylidene]ammonium
Formula: C28H42N3S+
MolecularWeight: 452.71818
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCCC)CCCC)C=C3S2


Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCCC)CCCC)C=C3S2


InChI

InChI=1S/C28H42N3S/c1-5-9-17-30(18-10-6-2)23-13-15-25-27(21-23)32-28-22-24(14-16-26(28)29-25)31(19-11-7-3)20-12-8-4/h13-16,21-22H,5-12,17-20H2,1-4H3/q+1


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