2-[(2,6-dimethyl-1-propyl-1H-pyridin-1-ium-4-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(2,6-dimethyl-1-propyl-1H-pyridin-1-ium-4-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(2,6-dimethyl-1-propyl-1H-pyridin-1-ium-4-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium CAS Name: 2-[(2,6-dimethyl-1-propyl-1H-pyridin-1-ium-4-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(2,6-dimethyl-1-propyl-1H-pyridin-1-ium-4-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(2,6-dimethyl-1-propyl-1H-pyridin-1-ium-4-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Formula: C20H26N2S+2 MolecularWeight: 326.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1C(=CC(=CC2=[N+](C3=CC=CC=C3S2)CC)C=C1C)C

Isomeric SMILES

CCC[NH+]1C(=CC(=CC2=[N+](C3=CC=CC=C3S2)CC)C=C1C)C

InChI

InChI=1S/C20H25N2S/c1-5-11-22-15(3)12-17(13-16(22)4)14-20-21(6-2)18-9-7-8-10-19(18)23-20/h7-10,12-14H,5-6,11H2,1-4H3/q+1/p+1