1,3-benzothiazol-6-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-(4-benzylpiperazin-4-ium-1-yl)methanone CAS Name: 1,3-benzothiazol-6-yl-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-(4-benzylpiperazin-4-ium-1-yl)methanone Traditional Name: 1,3-benzothiazol-6-yl-(4-benzylpiperazin-4-ium-1-yl)methanone Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C19H19N3OS/c23-19(16-6-7-17-18(12-16)24-14-20-17)22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2/p+1