1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethyl]-methyl-ammonium Formula: C20H27N5O2S+2 MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H25N5O2S/c1-15-11-16(22-27-15)12-24-7-9-25(10-8-24)20(26)14-23(2)13-19-21-17-5-3-4-6-18(17)28-19/h3-6,11H,7-10,12-14H2,1-2H3/p+2