1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(4-phenylpiperazino)ethyl]-methyl-ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c1-23(15-20-22-18-9-5-6-10-19(18)27-20)16-21(26)25-13-11-24(12-14-25)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+1