4-ethyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CC[NH2+]CC3

InChI

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