2-[3-(4-ethylpiperazine-1,4-diium-1-yl)propylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[3-(4-ethylpiperazine-1,4-diium-1-yl)propylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[3-(4-ethylpiperazine-1,4-diium-1-yl)propylsulfanyl]-1,3-benzothiazole CAS Name: 2-[3-(4-ethyl-1-piperazine-1,4-diiumyl)propylthio]-1,3-benzothiazole IUPAC Name: 2-[3-(4-ethylpiperazine-1,4-diium-1-yl)propylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[3-(4-ethylpiperazine-1,4-diium-1-yl)propylthio]-1,3-benzothiazole Formula: C16H25N3S2+2 MolecularWeight: 323.5198

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H23N3S2/c1-2-18-9-11-19(12-10-18)8-5-13-20-16-17-14-6-3-4-7-15(14)21-16/h3-4,6-7H,2,5,8-13H2,1H3/p+2