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

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

Systemtic Name:2-pentan-3-yl-6-piperazin-4-ium-1-yl-1,3-benzothiazole
Openeye Name:2-(1-ethylpropyl)-6-piperazin-4-ium-1-yl-1,3-benzothiazole
CAS Name:2-pentan-3-yl-6-(1-piperazin-4-iumyl)-1,3-benzothiazole
IUPAC Name:2-pentan-3-yl-6-piperazin-4-ium-1-yl-1,3-benzothiazole
Traditional Name:2-(1-ethylpropyl)-6-piperazin-4-ium-1-yl-1,3-benzothiazole
Formula: C16H24N3S+
MolecularWeight: 290.44686
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC2=C(S1)C=C(C=C2)N3CC[NH2+]CC3


Isomeric SMILES

CCC(CC)C1=NC2=C(S1)C=C(C=C2)N3CC[NH2+]CC3


InChI

InChI=1S/C16H23N3S/c1-3-12(4-2)16-18-14-6-5-13(11-15(14)20-16)19-9-7-17-8-10-19/h5-6,11-12,17H,3-4,7-10H2,1-2H3/p+1


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