(2E)-2-[(1-ethyl-5-phenyl-pyrimidin-1-ium-2-yl)methylidene]-3-heptyl-1,3-benzothiazole

Systemtic Name: (2E)-2-[(1-ethyl-5-phenyl-pyrimidin-1-ium-2-yl)methylidene]-3-heptyl-1,3-benzothiazole Openeye Name: (2E)-2-[(1-ethyl-5-phenyl-pyrimidin-1-ium-2-yl)methylene]-3-heptyl-1,3-benzothiazole CAS Name: (2E)-2-[(1-ethyl-5-phenyl-2-pyrimidin-1-iumyl)methylidene]-3-heptyl-1,3-benzothiazole IUPAC Name: (2E)-2-[(1-ethyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-3-heptyl-1,3-benzothiazole Traditional Name: (2E)-2-[(1-ethyl-5-phenyl-pyrimidin-1-ium-2-yl)methylene]-3-heptyl-1,3-benzothiazole Formula: C27H32N3S+ MolecularWeight: 430.62808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2SC1=CC3=NC=C(C=[N+]3CC)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCN\1C2=CC=CC=C2S/C1=C/C3=NC=C(C=[N+]3CC)C4=CC=CC=C4

InChI

InChI=1S/C27H32N3S/c1-3-5-6-7-13-18-30-24-16-11-12-17-25(24)31-27(30)19-26-28-20-23(21-29(26)4-2)22-14-9-8-10-15-22/h8-12,14-17,19-21H,3-7,13,18H2,1-2H3/q+1