2-butyl-6-piperazin-4-ium-1-yl-1,3-benzothiazole

Systemtic Name: 2-butyl-6-piperazin-4-ium-1-yl-1,3-benzothiazole Openeye Name: 2-butyl-6-piperazin-4-ium-1-yl-1,3-benzothiazole CAS Name: 2-butyl-6-(1-piperazin-4-iumyl)-1,3-benzothiazole IUPAC Name: 2-butyl-6-piperazin-4-ium-1-yl-1,3-benzothiazole Traditional Name: 2-butyl-6-piperazin-4-ium-1-yl-1,3-benzothiazole Formula: C15H22N3S+ MolecularWeight: 276.42028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(S1)C=C(C=C2)N3CC[NH2+]CC3

Isomeric SMILES

CCCCC1=NC2=C(S1)C=C(C=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C15H21N3S/c1-2-3-4-15-17-13-6-5-12(11-14(13)19-15)18-9-7-16-8-10-18/h5-6,11,16H,2-4,7-10H2,1H3/p+1