3-[4-(3,3-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)pyridin-1-yl]propyl-trimethyl-azanium

Systemtic Name: 3-[4-(3,3-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)pyridin-1-yl]propyl-trimethyl-azanium Openeye Name: 3-[4-(3,3-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)-1-pyridyl]propyl-trimethyl-ammonium CAS Name: 3-[4-(3,3-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)-1-pyridinyl]propyl-trimethylammonium IUPAC Name: 3-[4-(3,3-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)pyridin-1-yl]propyl-trimethylazanium Traditional Name: 3-[4-(3,3-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)-1-pyridyl]propyl-trimethyl-ammonium Formula: C20H29N3S+2 MolecularWeight: 343.52936

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2SC1=C3C=CN(C=C3)CCC[N+](C)(C)C)C

Isomeric SMILES

C[N+]1(C2=CC=CC=C2SC1=C3C=CN(C=C3)CCC[N+](C)(C)C)C

InChI

InChI=1S/C20H29N3S/c1-22(2,3)16-8-13-21-14-11-17(12-15-21)20-23(4,5)18-9-6-7-10-19(18)24-20/h6-7,9-12,14-15H,8,13,16H2,1-5H3/q+2