1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; 10-methylphenothiazine

Systemtic Name: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; 10-methylphenothiazine Openeye Name: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; 10-methylphenothiazine CAS Name: 1-heptyl-4-(1-heptyl-4-pyridin-1-iumyl)pyridin-1-ium; 10-methylphenothiazine IUPAC Name: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; 10-methylphenothiazine Traditional Name: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; 10-methylphenothiazine Formula: C37H49N3S+2 MolecularWeight: 567.87006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCC.CN1C2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

CCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCC.CN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C24H38N2.C13H11NS/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h13-16,19-22H,3-12,17-18H2,1-2H3;2-9H,1H3/q+2;