2,1,3-benzothiadiazol-5-ylmethyl-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]azanium Traditional Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-(piazthiol-5-ylmethyl)ammonium Formula: C19H20N5S2+ MolecularWeight: 382.5256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]CC4=CC5=NSN=C5C=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C19H19N5S2/c1-2-6-18-16(5-1)21-19(25-18)24-9-3-4-14(12-24)20-11-13-7-8-15-17(10-13)23-26-22-15/h1-2,5-8,10,14,20H,3-4,9,11-12H2/p+1/t14-/m0/s1