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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[2-(butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[2-(butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[2-(butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-methyl-ammonium Formula: C21H33N5O2S+2 MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H31N5O2S/c1-3-4-9-22-19(27)14-25-10-12-26(13-11-25)21(28)16-24(2)15-20-23-17-7-5-6-8-18(17)29-20/h5-8H,3-4,9-16H2,1-2H3,(H,22,27)/p+2