10-[4-[4-[1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]butyl]phenothiazine

Systemtic Name: 10-[4-[4-[1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]butyl]phenothiazine Openeye Name: 10-[4-[4-[1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]butyl]phenothiazine CAS Name: 10-[4-[4-[1-[4-(10-phenothiazinyl)butyl]-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]butyl]phenothiazine IUPAC Name: 10-[4-[4-[1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]butyl]phenothiazine Traditional Name: 10-[4-[4-[1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]butyl]phenothiazine Formula: C42H40N4S2+2 MolecularWeight: 664.9238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCC[N+]4=CC=C(C=C4)C5=CC=[N+](C=C5)CCCCN6C7=CC=CC=C7SC8=CC=CC=C86

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCC[N+]4=CC=C(C=C4)C5=CC=[N+](C=C5)CCCCN6C7=CC=CC=C7SC8=CC=CC=C86

InChI

InChI=1S/C42H40N4S2/c1-5-17-39-35(13-1)45(36-14-2-6-18-40(36)47-39)27-11-9-25-43-29-21-33(22-30-43)34-23-31-44(32-24-34)26-10-12-28-46-37-15-3-7-19-41(37)48-42-20-8-4-16-38(42)46/h1-8,13-24,29-32H,9-12,25-28H2/q+2