[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyridin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)-3-pyridyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-3-pyridinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyridin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)-3-pyridyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C19H21N4OS+ MolecularWeight: 353.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N4OS/c1-2-22-10-12-23(13-11-22)19(24)14-6-5-9-20-17(14)18-21-15-7-3-4-8-16(15)25-18/h3-9H,2,10-13H2,1H3/p+1