(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3S)-N-(1,3-benzothiazol-2-ylmethyl)quinuclidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(3S)-quinuclidin-1-ium-3-yl]amine Formula: C15H20N3S+ MolecularWeight: 274.4044

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C15H19N3S/c1-2-4-14-12(3-1)17-15(19-14)9-16-13-10-18-7-5-11(13)6-8-18/h1-4,11,13,16H,5-10H2/p+1/t13-/m1/s1