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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-yl]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-[2-(isopropylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-methyl-ammonium Formula: C20H31N5O2S+2 MolecularWeight: 405.55744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2S/c1-15(2)21-18(26)12-24-8-10-25(11-9-24)20(27)14-23(3)13-19-22-16-6-4-5-7-17(16)28-19/h4-7,15H,8-14H2,1-3H3,(H,21,26)/p+2