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

Systemtic Name: 2-[[2,6-dimethyl-1-(2-piperazin-4-ium-1-ylethyl)-1H-pyridin-1-ium-4-ylidene]methyl]-3-ethyl-1,3-benzothiazol-3-ium Openeye Name: 2-[[2,6-dimethyl-1-(2-piperazin-4-ium-1-ylethyl)-1H-pyridin-1-ium-4-ylidene]methyl]-3-ethyl-1,3-benzothiazol-3-ium CAS Name: 2-[[2,6-dimethyl-1-[2-(1-piperazin-4-iumyl)ethyl]-1H-pyridin-1-ium-4-ylidene]methyl]-3-ethyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[[2,6-dimethyl-1-(2-piperazin-4-ium-1-ylethyl)-1H-pyridin-1-ium-4-ylidene]methyl]-3-ethyl-1,3-benzothiazol-3-ium Traditional Name: 2-[[2,6-dimethyl-1-(2-piperazin-4-ium-1-ylethyl)-1H-pyridin-1-ium-4-ylidene]methyl]-3-ethyl-1,3-benzothiazol-3-ium Formula: C23H33N4S+3 MolecularWeight: 397.59992

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3C=C([NH+](C(=C3)C)CCN4CC[NH2+]CC4)C

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)C=C3C=C([NH+](C(=C3)C)CCN4CC[NH2+]CC4)C

InChI

InChI=1S/C23H31N4S/c1-4-26-21-7-5-6-8-22(21)28-23(26)17-20-15-18(2)27(19(3)16-20)14-13-25-11-9-24-10-12-25/h5-8,15-17,24H,4,9-14H2,1-3H3/q+1/p+2