2-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-pyridin-1-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2,6-dimethyl-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethyl-diethyl-ammonium Formula: C22H31N3S+2 MolecularWeight: 369.56664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(C=C(C=C1C)C=C2N(C3=CC=CC=C3S2)C)C

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(C=C(C=C1C)C=C2N(C3=CC=CC=C3S2)C)C

InChI

InChI=1S/C22H30N3S/c1-6-24(7-2)12-13-25-17(3)14-19(15-18(25)4)16-22-23(5)20-10-8-9-11-21(20)26-22/h8-11,14-16H,6-7,12-13H2,1-5H3/q+1/p+1