2-[(1S)-1-piperazin-4-ium-1-ylethyl]-1,3-benzothiazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N3CC[NH2+]CC3

InChI

InChI=1S/C13H17N3S/c1-10(16-8-6-14-7-9-16)13-15-11-4-2-3-5-12(11)17-13/h2-5,10,14H,6-9H2,1H3/p+1/t10-/m0/s1