2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazole

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazole Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazole CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-1,3-benzothiazole IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazole Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazole Formula: C13H18N3S+ MolecularWeight: 248.36712

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H17N3S/c1-2-15-7-9-16(10-8-15)13-14-11-5-3-4-6-12(11)17-13/h3-6H,2,7-10H2,1H3/p+1