3-[4-[(Z)-(5-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyrimidin-1-ium-1-yl]propyl-trimethyl-azanium

Systemtic Name: 3-[4-[(Z)-(5-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyrimidin-1-ium-1-yl]propyl-trimethyl-azanium Openeye Name: 3-[4-[(Z)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyrimidin-1-ium-1-yl]propyl-trimethyl-ammonium CAS Name: 3-[4-[(Z)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-pyrimidin-1-iumyl]propyl-trimethylammonium IUPAC Name: 3-[4-[(Z)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyrimidin-1-ium-1-yl]propyl-trimethylazanium Traditional Name: 3-[4-[(Z)-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyrimidin-1-ium-1-yl]propyl-trimethyl-ammonium Formula: C19H25ClN4S+2 MolecularWeight: 376.9466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)Cl)SC1=CC3=NC=[N+](C=C3)CCC[N+](C)(C)C

Isomeric SMILES

CN\1C2=C(C=CC(=C2)Cl)S/C1=C\C3=NC=[N+](C=C3)CCC[N+](C)(C)C

InChI

InChI=1S/C19H25ClN4S/c1-22-17-12-15(20)6-7-18(17)25-19(22)13-16-8-10-23(14-21-16)9-5-11-24(2,3)4/h6-8,10,12-14H,5,9,11H2,1-4H3/q+2