2-[(4-phenylpiperazin-1-ium-1-yl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(4-phenyl-1-piperazin-1-iumyl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methylthio]-1,3-benzothiazole Formula: C18H20N3S2+ MolecularWeight: 342.5015

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CSC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CSC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C18H19N3S2/c1-2-6-15(7-3-1)21-12-10-20(11-13-21)14-22-18-19-16-8-4-5-9-17(16)23-18/h1-9H,10-14H2/p+1