2-(methoxymethyl)-6-piperazin-4-ium-1-yl-1,3-benzothiazole

Systemtic Name: 2-(methoxymethyl)-6-piperazin-4-ium-1-yl-1,3-benzothiazole Openeye Name: 2-(methoxymethyl)-6-piperazin-4-ium-1-yl-1,3-benzothiazole CAS Name: 2-(methoxymethyl)-6-(1-piperazin-4-iumyl)-1,3-benzothiazole IUPAC Name: 2-(methoxymethyl)-6-piperazin-4-ium-1-yl-1,3-benzothiazole Traditional Name: 2-(methoxymethyl)-6-piperazin-4-ium-1-yl-1,3-benzothiazole Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NC2=C(S1)C=C(C=C2)N3CC[NH2+]CC3

Isomeric SMILES

COCC1=NC2=C(S1)C=C(C=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C13H17N3OS/c1-17-9-13-15-11-3-2-10(8-12(11)18-13)16-6-4-14-5-7-16/h2-3,8,14H,4-7,9H2,1H3/p+1