(2Z)-2-[[2,6-dimethyl-1-(2-piperazin-1-ylethyl)pyridin-1-ium-4-yl]methylidene]-3-ethyl-1,3-benzothiazole

Systemtic Name: (2Z)-2-[[2,6-dimethyl-1-(2-piperazin-1-ylethyl)pyridin-1-ium-4-yl]methylidene]-3-ethyl-1,3-benzothiazole Openeye Name: (2Z)-2-[[2,6-dimethyl-1-(2-piperazin-1-ylethyl)pyridin-1-ium-4-yl]methylene]-3-ethyl-1,3-benzothiazole CAS Name: (2Z)-2-[[2,6-dimethyl-1-[2-(1-piperazinyl)ethyl]-4-pyridin-1-iumyl]methylidene]-3-ethyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[[2,6-dimethyl-1-(2-piperazin-1-ylethyl)pyridin-1-ium-4-yl]methylidene]-3-ethyl-1,3-benzothiazole Traditional Name: (2Z)-2-[[2,6-dimethyl-1-(2-piperazinoethyl)pyridin-1-ium-4-yl]methylene]-3-ethyl-1,3-benzothiazole Formula: C23H31N4S+ MolecularWeight: 395.58404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=[N+](C(=C3)C)CCN4CCNCC4)C

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=CC(=[N+](C(=C3)C)CCN4CCNCC4)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