3-methyl-2-[[10-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]phenanthren-9-yl]methyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-[[10-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]phenanthren-9-yl]methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-[[10-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]-9-phenanthryl]methyl]-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[[10-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]-9-phenanthrenyl]methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[[10-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]phenanthren-9-yl]methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-[[10-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]-9-phenanthryl]methyl]-1,3-benzothiazol-3-ium Formula: C32H26N2S2+2 MolecularWeight: 502.69224

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CC3=C(C4=CC=CC=C4C5=CC=CC=C53)CC6=[N+](C7=CC=CC=C7S6)C

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CC3=C(C4=CC=CC=C4C5=CC=CC=C53)CC6=[N+](C7=CC=CC=C7S6)C

InChI

InChI=1S/C32H26N2S2/c1-33-27-15-7-9-17-29(27)35-31(33)19-25-23-13-5-3-11-21(23)22-12-4-6-14-24(22)26(25)20-32-34(2)28-16-8-10-18-30(28)36-32/h3-18H,19-20H2,1-2H3/q+2